N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide

C11H18N4OS — CID 145182676

IUPACN-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide
SMILESCn1ncc(NC(=O)C2CCCCC2)c1SN
InChIInChI=1S/C11H18N4OS/c1-15-11(17-12)9(7-13-15)14-10(16)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H,14,16)
InChIKeySOLBVNQDBYDDAH-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.90
Rot. Bonds3

About N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide

N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide (PubChem CID 145182676) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide
PubChem CID145182676
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide
SMILESCn1ncc(NC(=O)C2CCCCC2)c1SN
InChIInChI=1S/C11H18N4OS/c1-15-11(17-12)9(7-13-15)14-10(16)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H,14,16)
InChIKeySOLBVNQDBYDDAH-UHFFFAOYSA-N
XLogP1.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-benzylsulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide
CID 139539414
N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide
CID 110664769
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172
N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19399779
N-(3-amino-4-pyridinyl)cyclooctanecarboxamide
CID 65019463
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide
CID 164792338
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate
CID 19342316

Frequently Asked Questions

What is the IUPAC name of N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide (CID 145182676) is N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide is Cn1ncc(NC(=O)C2CCCCC2)c1SN.
What is the InChIKey of N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide?
The InChIKey is SOLBVNQDBYDDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-15-11(17-12)9(7-13-15)14-10(16)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H,14,16).
What are the key properties of N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide?
N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminosulfanyl-1-methylpyrazol-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 145182676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).