1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide

C15H21N3O2S — CID 62991256

IUPAC1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2(C(N)=S)CCCCC2)ccn1
InChIInChI=1S/C15H21N3O2S/c1-20-12-9-11(5-8-17-12)10-18-14(19)15(13(16)21)6-3-2-4-7-15/h5,8-9H,2-4,6-7,10H2,1H3,(H2,16,21)(H,18,19)
InChIKeyJWLBTRVHKTWYNQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.94
Rot. Bonds5

About 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide

1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide (PubChem CID 62991256) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide
PubChem CID62991256
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2(C(N)=S)CCCCC2)ccn1
InChIInChI=1S/C15H21N3O2S/c1-20-12-9-11(5-8-17-12)10-18-14(19)15(13(16)21)6-3-2-4-7-15/h5,8-9H,2-4,6-7,10H2,1H3,(H2,16,21)(H,18,19)
InChIKeyJWLBTRVHKTWYNQ-UHFFFAOYSA-N
XLogP1.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminocyclohexyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 64677041
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]oxane-4-carboxamide
CID 62993317
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 55037907
1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446789
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
1-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
3,5-difluoro-4-[(2-methoxy-4-pyridinyl)methylamino]benzenecarbothioamide
CID 81286754
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide (CID 62991256) is 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide is COc1cc(CNC(=O)C2(C(N)=S)CCCCC2)ccn1.
What is the InChIKey of 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is JWLBTRVHKTWYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-20-12-9-11(5-8-17-12)10-18-14(19)15(13(16)21)6-3-2-4-7-15/h5,8-9H,2-4,6-7,10H2,1H3,(H2,16,21)(H,18,19).
What are the key properties of 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide?
1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62991256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).