3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride

C11H23ClN2OS — CID 119706929

IUPAC3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCSCCCNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-15-7-3-6-13-11(14)9-4-2-5-10(12)8-9;/h9-10H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyDRSMWVSGXPBSEQ-UHFFFAOYSA-N
MW266.84 g/mol
LogP1.79
Rot. Bonds5

About 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119706929) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119706929
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCSCCCNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-15-7-3-6-13-11(14)9-4-2-5-10(12)8-9;/h9-10H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyDRSMWVSGXPBSEQ-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861213
3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119727711
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride (CID 119706929) is 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride is CSCCCNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DRSMWVSGXPBSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-15-7-3-6-13-11(14)9-4-2-5-10(12)8-9;/h9-10H,2-8,12H2,1H3,(H,13,14);1H.
What are the key properties of 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119706929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).