1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide

C9H14N2OS — CID 80592274

IUPAC1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCC2CC2)CC1
InChIInChI=1S/C9H14N2OS/c10-7(13)9(3-4-9)8(12)11-5-6-1-2-6/h6H,1-5H2,(H2,10,13)(H,11,12)
InChIKeyMCZCSLFQIASRNG-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.58
Rot. Bonds4

About 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide (PubChem CID 80592274) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
PubChem CID80592274
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCC2CC2)CC1
InChIInChI=1S/C9H14N2OS/c10-7(13)9(3-4-9)8(12)11-5-6-1-2-6/h6H,1-5H2,(H2,10,13)(H,11,12)
InChIKeyMCZCSLFQIASRNG-UHFFFAOYSA-N
XLogP0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80589592
1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide
CID 80593156
1-carbamothioyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80589199
1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
CID 107418708
1-carbamothioyl-N-[(1,1-dioxothiolan-2-yl)methyl]cyclopentane-1-carboxamide
CID 81038821
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide
CID 82940735
1-carbamothioyl-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106009983
1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide
CID 80590816
1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761691
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 80593420

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide (CID 80592274) is 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide is NC(=S)C1(C(=O)NCC2CC2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide?
The InChIKey is MCZCSLFQIASRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-7(13)9(3-4-9)8(12)11-5-6-1-2-6/h6H,1-5H2,(H2,10,13)(H,11,12).
What are the key properties of 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80592274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).