2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide

C14H27N3OS — CID 114292186

IUPAC2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
SMILESCCC(C)(C(=O)NCC1CCN(C(C)C)C1)C(N)=S
InChIInChI=1S/C14H27N3OS/c1-5-14(4,12(15)19)13(18)16-8-11-6-7-17(9-11)10(2)3/h10-11H,5-9H2,1-4H3,(H2,15,19)(H,16,18)
InChIKeyZFZPKBNSYNDWJP-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.54
Rot. Bonds6

About 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide

2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide (PubChem CID 114292186) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
PubChem CID114292186
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
SMILESCCC(C)(C(=O)NCC1CCN(C(C)C)C1)C(N)=S
InChIInChI=1S/C14H27N3OS/c1-5-14(4,12(15)19)13(18)16-8-11-6-7-17(9-11)10(2)3/h10-11H,5-9H2,1-4H3,(H2,15,19)(H,16,18)
InChIKeyZFZPKBNSYNDWJP-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]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

2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
CID 79815179
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
2-carbamothioyl-2-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 114291851
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958144
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide (CID 114292186) is 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide is CCC(C)(C(=O)NCC1CCN(C(C)C)C1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide?
The InChIKey is ZFZPKBNSYNDWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-5-14(4,12(15)19)13(18)16-8-11-6-7-17(9-11)10(2)3/h10-11H,5-9H2,1-4H3,(H2,15,19)(H,16,18).
What are the key properties of 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide?
2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide has a molecular weight of 285.46 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 114292186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).