4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide

C11H22N2OS — CID 43748737

IUPAC4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide
SMILESCSCCCNC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2OS/c1-15-8-2-7-13-10-5-3-9(4-6-10)11(12)14/h9-10,13H,2-8H2,1H3,(H2,12,14)
InChIKeyWJBXEKPHMHGVDC-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.37
Rot. Bonds6

About 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide

4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide (PubChem CID 43748737) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide
PubChem CID43748737
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide
SMILESCSCCCNC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2OS/c1-15-8-2-7-13-10-5-3-9(4-6-10)11(12)14/h9-10,13H,2-8H2,1H3,(H2,12,14)
InChIKeyWJBXEKPHMHGVDC-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide 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-[(2R)-1-(methylamino)-3-methylsulfanyl-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 145989285
4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine
CID 47003192
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 113228177
4-[2-(Trifluoromethylsulfanyl)ethylamino]cyclohexane-1-carboxamide
CID 116615432
[4-(2,2-Dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone
CID 75462526
4-(cyclopropanecarbonylamino)-N-(2-sulfanylethyl)cyclohexane-1-carboxamide
CID 177680076
Rel-(1r,4r)-4-(methylamino)cyclohexane-1-carboxamide
CID 20782495
4-(Propan-2-ylamino)cyclohexane-1-carboxamide
CID 43748905
N-methyl-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 68225265
N-(4-acetylcyclohexyl)-2-(methylamino)-4-methylsulfanylbutanamide
CID 70651327
4-[formyl(3-methylsulfanylbutanoyl)amino]-N-methylcyclohexane-1-carboxamide
CID 89132896
N-(3-methylsulfanylbutyl)cyclohexanecarboxamide
CID 118661328

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide (CID 43748737) is 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide is CSCCCNC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide?
The InChIKey is WJBXEKPHMHGVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-15-8-2-7-13-10-5-3-9(4-6-10)11(12)14/h9-10,13H,2-8H2,1H3,(H2,12,14).
What are the key properties of 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide?
4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylpropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 43748737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).