N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide

C13H22N2O5S — CID 95126849

IUPACN-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)C[C@H]1CCCO1)N[C@H]1CCCCNC1=O
InChIInChI=1S/C13H22N2O5S/c16-12(15-11-5-1-2-6-14-13(11)17)9-21(18,19)8-10-4-3-7-20-10/h10-11H,1-9H2,(H,14,17)(H,15,16)/t10-,11+/m1/s1
InChIKeyRCSYYQLGFKFEHA-MNOVXSKESA-N
MW318.40 g/mol
LogP-0.63
Rot. Bonds5

About N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide

N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide (PubChem CID 95126849) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide
PubChem CID95126849
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)C[C@H]1CCCO1)N[C@H]1CCCCNC1=O
InChIInChI=1S/C13H22N2O5S/c16-12(15-11-5-1-2-6-14-13(11)17)9-21(18,19)8-10-4-3-7-20-10/h10-11H,1-9H2,(H,14,17)(H,15,16)/t10-,11+/m1/s1
InChIKeyRCSYYQLGFKFEHA-MNOVXSKESA-N
XLogP-0.63
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide
CID 47031038
2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 51946918
2-[(2-fluorophenyl)methylsulfonyl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 51946917
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
CID 51079705
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
CID 51099333
2-(2-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62782706
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide
CID 106497396
2-[(1R)-1-(2,6-difluorophenyl)ethyl]sulfonyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95047272
1-[2-(oxolan-2-ylmethylsulfonyl)acetyl]piperidin-4-one
CID 113356585
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide (CID 95126849) is N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide is O=C(CS(=O)(=O)C[C@H]1CCCO1)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide?
The InChIKey is RCSYYQLGFKFEHA-MNOVXSKESA-N. The full InChI is InChI=1S/C13H22N2O5S/c16-12(15-11-5-1-2-6-14-13(11)17)9-21(18,19)8-10-4-3-7-20-10/h10-11H,1-9H2,(H,14,17)(H,15,16)/t10-,11+/m1/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide?
N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 95126849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).