2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide

C10H19N3O2S — CID 103827747

IUPAC2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide
SMILESCSC1CCC(NC(=O)C(N)CC(N)=O)C1
InChIInChI=1S/C10H19N3O2S/c1-16-7-3-2-6(4-7)13-10(15)8(11)5-9(12)14/h6-8H,2-5,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeySBNHPHNOYJDIRX-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.41
Rot. Bonds5

About 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide

2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide (PubChem CID 103827747) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide
PubChem CID103827747
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide
SMILESCSC1CCC(NC(=O)C(N)CC(N)=O)C1
InChIInChI=1S/C10H19N3O2S/c1-16-7-3-2-6(4-7)13-10(15)8(11)5-9(12)14/h6-8H,2-5,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeySBNHPHNOYJDIRX-UHFFFAOYSA-N
XLogP-0.41
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide 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

(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
(2R)-2-amino-N-(3-methylsulfanylcyclopentyl)-2-phenylacetamide
CID 103797785
2-[(3-methylsulfanylcyclopentyl)amino]-2-oxoacetic acid
CID 104768128
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride
CID 119794960
2-ethyl-1-[(1S,3R)-3-methylsulfanylcyclopentyl]guanidine
CID 95903132
2-ethyl-1-[(1R,3S)-3-methylsulfanylcyclopentyl]guanidine
CID 124504714
3-methoxy-4-[(3-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114124064
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
2-ethyl-1-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530252
2-amino-N-(1-propylpiperidin-4-yl)butanediamide
CID 61275785

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide?
The IUPAC name of 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide (CID 103827747) is 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide?
The canonical SMILES for 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide is CSC1CCC(NC(=O)C(N)CC(N)=O)C1.
What is the InChIKey of 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide?
The InChIKey is SBNHPHNOYJDIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-16-7-3-2-6(4-7)13-10(15)8(11)5-9(12)14/h6-8H,2-5,11H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide?
2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide has a molecular weight of 245.35 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide is sourced from PubChem (CID 103827747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).