3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride

C11H23ClN2OS — CID 119794960

IUPAC3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride
SMILESCSC1CCCC(NC(=O)CC(C)N)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-8(12)6-11(14)13-9-4-3-5-10(7-9)15-2;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H
InChIKeyJDSUJVXHMJPCFV-UHFFFAOYSA-N
MW266.84 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride

3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride (PubChem CID 119794960) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride
PubChem CID119794960
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride
SMILESCSC1CCCC(NC(=O)CC(C)N)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-8(12)6-11(14)13-9-4-3-5-10(7-9)15-2;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H
InChIKeyJDSUJVXHMJPCFV-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide
CID 100614916
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride
CID 119806159
N-(3-methylsulfanylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 114122906
2-[2-[(3-methylsulfanylcyclohexyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104588508
3-amino-N-(3-methylcyclopentyl)butanamide
CID 114546157
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943
3-amino-N-(azepan-4-yl)butanamide
CID 130643383
3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
CID 103812043
3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119794937
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride (CID 119794960) is 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride is CSC1CCCC(NC(=O)CC(C)N)C1.Cl.
What is the InChIKey of 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride?
The InChIKey is JDSUJVXHMJPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-8(12)6-11(14)13-9-4-3-5-10(7-9)15-2;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride?
3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.94, 4 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)butanamide;hydrochloride is sourced from PubChem (CID 119794960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).