2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide

C18H29N3O4S — CID 69147605

IUPAC2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)C1CCCN(S(=O)(=O)c2ccccc2)CC1O
InChIInChI=1S/C18H29N3O4S/c1-3-8-15(19)18(23)20(2)16-11-7-12-21(13-17(16)22)26(24,25)14-9-5-4-6-10-14/h4-6,9-10,15-17,22H,3,7-8,11-13,19H2,1-2H3
InChIKeyBJEXMZURBRNDSR-UHFFFAOYSA-N
MW383.51 g/mol
LogP0.79
Rot. Bonds6

About 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide

2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide (PubChem CID 69147605) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide
PubChem CID69147605
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)C1CCCN(S(=O)(=O)c2ccccc2)CC1O
InChIInChI=1S/C18H29N3O4S/c1-3-8-15(19)18(23)20(2)16-11-7-12-21(13-17(16)22)26(24,25)14-9-5-4-6-10-14/h4-6,9-10,15-17,22H,3,7-8,11-13,19H2,1-2H3
InChIKeyBJEXMZURBRNDSR-UHFFFAOYSA-N
XLogP0.79
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
CID 58394752
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
2-[1-(benzenesulfonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198963
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 26326227
2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119958110
1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 134025693

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide (CID 69147605) is 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide is CCCC(N)C(=O)N(C)C1CCCN(S(=O)(=O)c2ccccc2)CC1O.
What is the InChIKey of 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide?
The InChIKey is BJEXMZURBRNDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-3-8-15(19)18(23)20(2)16-11-7-12-21(13-17(16)22)26(24,25)14-9-5-4-6-10-14/h4-6,9-10,15-17,22H,3,7-8,11-13,19H2,1-2H3.
What are the key properties of 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide?
2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide has a molecular weight of 383.51 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(benzenesulfonyl)-3-hydroxyazepan-4-yl]-N-methylpentanamide is sourced from PubChem (CID 69147605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).