4-cyclopentylsulfanyl-2-(methylamino)butanamide

C10H20N2OS — CID 63115981

IUPAC4-cyclopentylsulfanyl-2-(methylamino)butanamide
SMILESCNC(CCSC1CCCC1)C(N)=O
InChIInChI=1S/C10H20N2OS/c1-12-9(10(11)13)6-7-14-8-4-2-3-5-8/h8-9,12H,2-7H2,1H3,(H2,11,13)
InChIKeyJXELXISOUUMMLB-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.13
Rot. Bonds6

About 4-cyclopentylsulfanyl-2-(methylamino)butanamide

4-cyclopentylsulfanyl-2-(methylamino)butanamide (PubChem CID 63115981) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-2-(methylamino)butanamide
PubChem CID63115981
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-cyclopentylsulfanyl-2-(methylamino)butanamide
SMILESCNC(CCSC1CCCC1)C(N)=O
InChIInChI=1S/C10H20N2OS/c1-12-9(10(11)13)6-7-14-8-4-2-3-5-8/h8-9,12H,2-7H2,1H3,(H2,11,13)
InChIKeyJXELXISOUUMMLB-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentylsulfanyl-2-(methylamino)butanamide 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

methyl 4-cyclohexylsulfanyl-2-(methylamino)butanoate
CID 63035399
2,5-bis(methylamino)hexanediamide
CID 66221520
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
4-(cyclohexylmethoxy)-2-(methylamino)butanamide
CID 63035501
4-butan-2-ylsulfanyl-2-(methylamino)butanamide
CID 63034115
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)butanamide
CID 115561507
2-(methylamino)-4-oxobutanamide
CID 130181448
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(methylamino)propanamide
CID 63151183
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide
CID 63053002
2-formamido-4-(4-methylcyclohexyl)sulfanylbutanoic acid
CID 64749299
4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide
CID 63055054

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-2-(methylamino)butanamide?
The IUPAC name of 4-cyclopentylsulfanyl-2-(methylamino)butanamide (CID 63115981) is 4-cyclopentylsulfanyl-2-(methylamino)butanamide.
What is the SMILES notation for 4-cyclopentylsulfanyl-2-(methylamino)butanamide?
The canonical SMILES for 4-cyclopentylsulfanyl-2-(methylamino)butanamide is CNC(CCSC1CCCC1)C(N)=O.
What is the InChIKey of 4-cyclopentylsulfanyl-2-(methylamino)butanamide?
The InChIKey is JXELXISOUUMMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-12-9(10(11)13)6-7-14-8-4-2-3-5-8/h8-9,12H,2-7H2,1H3,(H2,11,13).
What are the key properties of 4-cyclopentylsulfanyl-2-(methylamino)butanamide?
4-cyclopentylsulfanyl-2-(methylamino)butanamide has a molecular weight of 216.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-2-(methylamino)butanamide is sourced from PubChem (CID 63115981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).