N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide

C12H22N2O4S — CID 157480861

IUPACN-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide
SMILESCCCCC(=O)NC1CCCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C12H22N2O4S/c1-3-4-7-12(16)13-10-6-5-8-14(9-11(10)15)19(2,17)18/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyBWDIXMZSARWBAC-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.29
Rot. Bonds5

About N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide

N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide (PubChem CID 157480861) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide
PubChem CID157480861
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC NameN-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide
SMILESCCCCC(=O)NC1CCCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C12H22N2O4S/c1-3-4-7-12(16)13-10-6-5-8-14(9-11(10)15)19(2,17)18/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyBWDIXMZSARWBAC-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide
CID 70120789
4-methyl-N-[(4S)-1-(2-methylsulfonylphenyl)sulfonyl-3-oxoazepan-4-yl]pentanamide
CID 173158622
N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide
CID 70089533
1-methylsulfonyl-3-oxoazepane-4-carboxamide
CID 174450560
(2S)-2-amino-N-(1-ethylsulfonyl-3-oxoazepan-4-yl)-4-methylpentanamide
CID 69308058
4-amino-1-methylsulfonylazepan-3-one
CID 18445259
N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pentanamide
CID 110750211
N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 58610042
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide
CID 16929978
(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 69308262
2-[3-oxo-3-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propyl]benzamide
CID 173158719

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide?
The IUPAC name of N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide (CID 157480861) is N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide.
What is the SMILES notation for N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide?
The canonical SMILES for N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide is CCCCC(=O)NC1CCCN(S(C)(=O)=O)CC1=O.
What is the InChIKey of N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide?
The InChIKey is BWDIXMZSARWBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-3-4-7-12(16)13-10-6-5-8-14(9-11(10)15)19(2,17)18/h10H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide?
N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide has a molecular weight of 290.39 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide is sourced from PubChem (CID 157480861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).