N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide

C11H22N2O3S — CID 110345992

IUPACN-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c1-2-11(14)12-7-10-17(15,16)13-8-5-3-4-6-9-13/h2-10H2,1H3,(H,12,14)
InChIKeyQJGNKTWVDHTZJQ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.72
Rot. Bonds5

About N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide

N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide (PubChem CID 110345992) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
PubChem CID110345992
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c1-2-11(14)12-7-10-17(15,16)13-8-5-3-4-6-9-13/h2-10H2,1H3,(H,12,14)
InChIKeyQJGNKTWVDHTZJQ-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide
CID 110345398
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110346040
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 50978956
4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
CID 110306646
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide?
The IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide (CID 110345992) is N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide?
The canonical SMILES for N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide is CCC(=O)NCCS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide?
The InChIKey is QJGNKTWVDHTZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-11(14)12-7-10-17(15,16)13-8-5-3-4-6-9-13/h2-10H2,1H3,(H,12,14).
What are the key properties of N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide?
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide is sourced from PubChem (CID 110345992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).