2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine

C13H27NS — CID 115727024

IUPAC2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCSC1CCCCC1NC(C)C(C)C
InChIInChI=1S/C13H27NS/c1-5-15-13-9-7-6-8-12(13)14-11(4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyDKHGTDZCFCZHNW-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.68
Rot. Bonds5

About 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine

2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 115727024) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID115727024
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCSC1CCCCC1NC(C)C(C)C
InChIInChI=1S/C13H27NS/c1-5-15-13-9-7-6-8-12(13)14-11(4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyDKHGTDZCFCZHNW-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111840883
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
N-(2-ethylsulfanylcyclohexyl)thian-4-amine
CID 115727021
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121342
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
CID 99829767
3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
CID 103581059
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
1-(2-ethylsulfanylcyclohexyl)-3-(3-hydroxybutyl)urea
CID 111841186
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine (CID 115727024) is 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine is CCSC1CCCCC1NC(C)C(C)C.
What is the InChIKey of 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is DKHGTDZCFCZHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-5-15-13-9-7-6-8-12(13)14-11(4)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine?
2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 115727024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).