2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide

C14H24N2O5S — CID 97380571

IUPAC2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)C1CC1
InChIInChI=1S/C14H24N2O5S/c1-15(2)13(17)9-21-12-6-5-11-14(12)20-8-7-16(11)22(18,19)10-3-4-10/h10-12,14H,3-9H2,1-2H3/t11-,12+,14+/m0/s1
InChIKeyAORKRXPCQJRIOE-OUCADQQQSA-N
MW332.42 g/mol
LogP-0.18
Rot. Bonds5

About 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide

2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide (PubChem CID 97380571) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide
PubChem CID97380571
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)C1CC1
InChIInChI=1S/C14H24N2O5S/c1-15(2)13(17)9-21-12-6-5-11-14(12)20-8-7-16(11)22(18,19)10-3-4-10/h10-12,14H,3-9H2,1-2H3/t11-,12+,14+/m0/s1
InChIKeyAORKRXPCQJRIOE-OUCADQQQSA-N
XLogP-0.18
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

(4aS,7R,7aR)-4-cyclopropylsulfonyl-7-(2-methylpropoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365316
(4aS,7R,7aR)-4-cyclopropylsulfonyl-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97380481
2-[[(4aS,7R,7aR)-4-(2-piperidin-1-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 155845056
2-[[(4aS,7R,7aR)-4-(pyridin-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 171696935
(4aS,7R,7aR)-7-[2-(dimethylamino)ethoxy]-N,N-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 97365333
(4aS,7R,7aR)-4-ethylsulfonyl-7-(2-pyrrolidin-1-ylethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 155833617
2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
CID 91795253
(4aS,7S,7aR)-4-methylsulfonyl-7-(pyridin-2-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97366052
2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 97365499
(4aR,7R,7aR)-7-ethoxy-4-pyridin-3-ylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124826527
2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
CID 133142435
(4aS,7S,7aR)-4-ethylsulfonyl-7-(pyridin-3-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 155824185

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide (CID 97380571) is 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)C1CC1.
What is the InChIKey of 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is AORKRXPCQJRIOE-OUCADQQQSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-15(2)13(17)9-21-12-6-5-11-14(12)20-8-7-16(11)22(18,19)10-3-4-10/h10-12,14H,3-9H2,1-2H3/t11-,12+,14+/m0/s1.
What are the key properties of 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide?
2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 332.42 g/mol, XLogP of -0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,7R,7aR)-4-cyclopropylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97380571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).