1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide

C15H29N3OS — CID 103188958

IUPAC1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CCCCC1)C(C)CN(C)C
InChIInChI=1S/C15H29N3OS/c1-5-18(12(2)11-17(3)4)14(19)15(13(16)20)9-7-6-8-10-15/h12H,5-11H2,1-4H3,(H2,16,20)
InChIKeyMBGVTMDERWOVSD-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.02
Rot. Bonds6

About 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide

1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide (PubChem CID 103188958) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide
PubChem CID103188958
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CCCCC1)C(C)CN(C)C
InChIInChI=1S/C15H29N3OS/c1-5-18(12(2)11-17(3)4)14(19)15(13(16)20)9-7-6-8-10-15/h12H,5-11H2,1-4H3,(H2,16,20)
InChIKeyMBGVTMDERWOVSD-UHFFFAOYSA-N
XLogP2.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide (CID 103188958) is 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide is CCN(C(=O)C1(C(N)=S)CCCCC1)C(C)CN(C)C.
What is the InChIKey of 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is MBGVTMDERWOVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-5-18(12(2)11-17(3)4)14(19)15(13(16)20)9-7-6-8-10-15/h12H,5-11H2,1-4H3,(H2,16,20).
What are the key properties of 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide?
1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 299.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 103188958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).