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

C14H27ClN2OS — CID 119794937

IUPAC3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCSC1CCCC(NC(=O)C2CCCC(N)C2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-18-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(15)8-10;/h10-13H,2-9,15H2,1H3,(H,16,17);1H
InChIKeyFIKMRMMYJJGFGI-UHFFFAOYSA-N
MW306.90 g/mol
LogP2.72
Rot. Bonds3

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

3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119794937) has the molecular formula C14H27ClN2OS and a molecular weight of 306.90 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119794937
Molecular FormulaC14H27ClN2OS
Molecular Weight306.90 g/mol
Exact Mass306.15
IUPAC Name3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCSC1CCCC(NC(=O)C2CCCC(N)C2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-18-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(15)8-10;/h10-13H,2-9,15H2,1H3,(H,16,17);1H
InChIKeyFIKMRMMYJJGFGI-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.90
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63043224
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CID 103797414
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (CID 119794937) is 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is CSC1CCCC(NC(=O)C2CCCC(N)C2)C1.Cl.
What is the InChIKey of 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FIKMRMMYJJGFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS.ClH/c1-18-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(15)8-10;/h10-13H,2-9,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 306.90 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119794937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).