1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide

C15H27N3O2S — CID 103110390

IUPAC1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)C1(C(N)=S)CCCCCC1
InChIInChI=1S/C15H27N3O2S/c1-4-18(3)12(19)11(2)17-14(20)15(13(16)21)9-7-5-6-8-10-15/h11H,4-10H2,1-3H3,(H2,16,21)(H,17,20)
InChIKeyGEKIUQIIAJTYTE-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.60
Rot. Bonds5

About 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide

1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide (PubChem CID 103110390) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide
PubChem CID103110390
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)C1(C(N)=S)CCCCCC1
InChIInChI=1S/C15H27N3O2S/c1-4-18(3)12(19)11(2)17-14(20)15(13(16)21)9-7-5-6-8-10-15/h11H,4-10H2,1-3H3,(H2,16,21)(H,17,20)
InChIKeyGEKIUQIIAJTYTE-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide 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

1-(aminomethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 103108184
1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide
CID 63836744
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 103109036
1-carbamothioyl-N-(3,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 104828379
1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide
CID 80592085
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102
1-carbamothioyl-N-hexan-2-ylcyclobutane-1-carboxamide
CID 80589844
1-carbamothioyl-N-octan-4-ylcycloheptane-1-carboxamide
CID 106023670
1-carbamothioyl-N-(3-ethylpentan-3-yl)cycloheptane-1-carboxamide
CID 65043403
1-carbamothioyl-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 62694585
1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide
CID 103188958
1-carbamothioyl-N-octan-2-ylcyclobutane-1-carboxamide
CID 80589555

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide (CID 103110390) is 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide is CCN(C)C(=O)C(C)NC(=O)C1(C(N)=S)CCCCCC1.
What is the InChIKey of 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide?
The InChIKey is GEKIUQIIAJTYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-18(3)12(19)11(2)17-14(20)15(13(16)21)9-7-5-6-8-10-15/h11H,4-10H2,1-3H3,(H2,16,21)(H,17,20).
What are the key properties of 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide?
1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide is sourced from PubChem (CID 103110390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).