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

C15H28N2O3S — CID 124821189

IUPACN-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
SMILESCC(C)N1CC[C@@]2(CCC[C@H](CNS(=O)(=O)C3CC3)O2)C1
InChIInChI=1S/C15H28N2O3S/c1-12(2)17-9-8-15(11-17)7-3-4-13(20-15)10-16-21(18,19)14-5-6-14/h12-14,16H,3-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyJDDMMWJDHQPENV-HIFRSBDPSA-N
MW316.47 g/mol
LogP1.49
Rot. Bonds5

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

N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide (PubChem CID 124821189) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
PubChem CID124821189
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
SMILESCC(C)N1CC[C@@]2(CCC[C@H](CNS(=O)(=O)C3CC3)O2)C1
InChIInChI=1S/C15H28N2O3S/c1-12(2)17-9-8-15(11-17)7-3-4-13(20-15)10-16-21(18,19)14-5-6-14/h12-14,16H,3-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyJDDMMWJDHQPENV-HIFRSBDPSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
CID 97476591
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97485996
N-[[(5R,7S)-2-(2-methoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475247
N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475500
N-[[(5R,7S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155847855
N-[[(5R,7R)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97476555
N-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474642
N-[[(5S,7S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide
CID 124895675
N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
CID 159631931
N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-ium-3-sulfonamide
CID 140917583
N-[[(5R,7S)-2-(thiophene-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475132
N-[[(5R,7R)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155838049

Frequently Asked Questions

What is the IUPAC name of N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide (CID 124821189) is N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide is CC(C)N1CC[C@@]2(CCC[C@H](CNS(=O)(=O)C3CC3)O2)C1.
What is the InChIKey of N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The InChIKey is JDDMMWJDHQPENV-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-12(2)17-9-8-15(11-17)7-3-4-13(20-15)10-16-21(18,19)14-5-6-14/h12-14,16H,3-11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 124821189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).