1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide

C13H25N3O2S2 — CID 61122667

IUPAC1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
SMILESCC1CCCN(S(=O)(=O)NC2(C(N)=S)CCCCC2)C1
InChIInChI=1S/C13H25N3O2S2/c1-11-6-5-9-16(10-11)20(17,18)15-13(12(14)19)7-3-2-4-8-13/h11,15H,2-10H2,1H3,(H2,14,19)
InChIKeyRZEWZZPHRUNWAD-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.54
Rot. Bonds4

About 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide

1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide (PubChem CID 61122667) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
PubChem CID61122667
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC Name1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
SMILESCC1CCCN(S(=O)(=O)NC2(C(N)=S)CCCCC2)C1
InChIInChI=1S/C13H25N3O2S2/c1-11-6-5-9-16(10-11)20(17,18)15-13(12(14)19)7-3-2-4-8-13/h11,15H,2-10H2,1H3,(H2,14,19)
InChIKeyRZEWZZPHRUNWAD-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide 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

N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
N-[1-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide
CID 28940480
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940700
N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide
CID 28940702
N-[1-(aminomethyl)cyclohexyl]-2-methylpiperidine-1-sulfonamide
CID 43119800
N-[1-(aminomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119801
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119830
N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43598181
N-[(1-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 43598183
N-[(1-aminocyclohexyl)methyl]piperidine-1-sulfonamide
CID 43598184
N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 43598187
N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 43598196

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide?
The IUPAC name of 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide (CID 61122667) is 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide.
What is the SMILES notation for 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide?
The canonical SMILES for 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide is CC1CCCN(S(=O)(=O)NC2(C(N)=S)CCCCC2)C1.
What is the InChIKey of 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide?
The InChIKey is RZEWZZPHRUNWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-11-6-5-9-16(10-11)20(17,18)15-13(12(14)19)7-3-2-4-8-13/h11,15H,2-10H2,1H3,(H2,14,19).
What are the key properties of 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide?
1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide has a molecular weight of 319.50 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide is sourced from PubChem (CID 61122667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).