1-amino-3-ethylsulfanylcyclohexane-1-carboxamide

C9H18N2OS — CID 79638267

IUPAC1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
SMILESCCSC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C9H18N2OS/c1-2-13-7-4-3-5-9(11,6-7)8(10)12/h7H,2-6,11H2,1H3,(H2,10,12)
InChIKeyIGTSGSLVFXIIOI-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.86
Rot. Bonds3

About 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide

1-amino-3-ethylsulfanylcyclohexane-1-carboxamide (PubChem CID 79638267) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
PubChem CID79638267
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
SMILESCCSC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C9H18N2OS/c1-2-13-7-4-3-5-9(11,6-7)8(10)12/h7H,2-6,11H2,1H3,(H2,10,12)
InChIKeyIGTSGSLVFXIIOI-UHFFFAOYSA-N
XLogP0.86
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylcyclohexane-1-carboxamide
CID 114234462
1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
CID 79637513
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide
CID 107756277
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834
1-(ethylamino)-3-ethylsulfanylcyclohexane-1-carboxylic acid
CID 79638049
1-amino-N-(3-ethylsulfanylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119343768
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 106925119
1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
CID 79635164
methyl 1-amino-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79634347

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide (CID 79638267) is 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide is CCSC1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide?
The InChIKey is IGTSGSLVFXIIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-13-7-4-3-5-9(11,6-7)8(10)12/h7H,2-6,11H2,1H3,(H2,10,12).
What are the key properties of 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide?
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethylsulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 79638267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).