1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide

C12H24N2O2S — CID 106161442

IUPAC1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-9(10(8-15)17-2)14-11(16)12(13)6-4-3-5-7-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyAOLZMJXNXLBLNU-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.88
Rot. Bonds5

About 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide

1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 106161442) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID106161442
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-9(10(8-15)17-2)14-11(16)12(13)6-4-3-5-7-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyAOLZMJXNXLBLNU-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide
CID 106161513
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012111
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide
CID 106161649
1-amino-N-(3-methylpentan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119300951
1-amino-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 93315413
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
1-amino-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 103796589
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106161551
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
2-cyclopentylidene-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]propanamide
CID 97247758
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide (CID 106161442) is 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide is CSC(CO)C(C)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is AOLZMJXNXLBLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(10(8-15)17-2)14-11(16)12(13)6-4-3-5-7-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide?
1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106161442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).