N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide

C14H24N2O4S — CID 97474901

IUPACN-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
SMILESCC(=O)N1CC[C@]2(CCC[C@H](CNS(=O)(=O)C3CC3)O2)C1
InChIInChI=1S/C14H24N2O4S/c1-11(17)16-8-7-14(10-16)6-2-3-12(20-14)9-15-21(18,19)13-4-5-13/h12-13,15H,2-10H2,1H3/t12-,14-/m1/s1
InChIKeyQSDMBKWFLFPCSX-TZMCWYRMSA-N
MW316.42 g/mol
LogP0.63
Rot. Bonds4

About N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide

N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide (PubChem CID 97474901) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
PubChem CID97474901
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
SMILESCC(=O)N1CC[C@]2(CCC[C@H](CNS(=O)(=O)C3CC3)O2)C1
InChIInChI=1S/C14H24N2O4S/c1-11(17)16-8-7-14(10-16)6-2-3-12(20-14)9-15-21(18,19)13-4-5-13/h12-13,15H,2-10H2,1H3/t12-,14-/m1/s1
InChIKeyQSDMBKWFLFPCSX-TZMCWYRMSA-N
XLogP0.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide (CID 97474901) is N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide is CC(=O)N1CC[C@]2(CCC[C@H](CNS(=O)(=O)C3CC3)O2)C1.
What is the InChIKey of N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The InChIKey is QSDMBKWFLFPCSX-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11(17)16-8-7-14(10-16)6-2-3-12(20-14)9-15-21(18,19)13-4-5-13/h12-13,15H,2-10H2,1H3/t12-,14-/m1/s1.
What are the key properties of N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 97474901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).