2-(cyclopentylcarbamothioylamino)-3-methylbutanamide

C11H21N3OS — CID 106344676

IUPAC2-(cyclopentylcarbamothioylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=S)NC1CCCC1)C(N)=O
InChIInChI=1S/C11H21N3OS/c1-7(2)9(10(12)15)14-11(16)13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H2,12,15)(H2,13,14,16)
InChIKeyMETRXSYXASOEJW-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.90
Rot. Bonds4

About 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide

2-(cyclopentylcarbamothioylamino)-3-methylbutanamide (PubChem CID 106344676) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopentylcarbamothioylamino)-3-methylbutanamide
PubChem CID106344676
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-(cyclopentylcarbamothioylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=S)NC1CCCC1)C(N)=O
InChIInChI=1S/C11H21N3OS/c1-7(2)9(10(12)15)14-11(16)13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H2,12,15)(H2,13,14,16)
InChIKeyMETRXSYXASOEJW-UHFFFAOYSA-N
XLogP0.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide 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-(cyclopentylcarbamoylamino)-3-methylbutanamide
CID 104858398
2-(cyclopropylcarbamothioylamino)propanamide
CID 116507427
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
2-(aminocarbamothioylamino)-3-methylbutanamide
CID 106346207
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 106346718
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
methyl 2-(cyclohexylcarbamothioylamino)-4-methylpentanoate
CID 116507939
N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918
2-(1-cyclohexylethylamino)-3-methylbutanamide
CID 103729646

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide?
The IUPAC name of 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide (CID 106344676) is 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide?
The canonical SMILES for 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide is CC(C)C(NC(=S)NC1CCCC1)C(N)=O.
What is the InChIKey of 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide?
The InChIKey is METRXSYXASOEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-7(2)9(10(12)15)14-11(16)13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H2,12,15)(H2,13,14,16).
What are the key properties of 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide?
2-(cyclopentylcarbamothioylamino)-3-methylbutanamide has a molecular weight of 243.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamothioylamino)-3-methylbutanamide is sourced from PubChem (CID 106344676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).