3-cyclohexylsulfanylbutan-1-amine

C10H21NS — CID 60913150

IUPAC3-cyclohexylsulfanylbutan-1-amine
SMILESCC(CCN)SC1CCCCC1
InChIInChI=1S/C10H21NS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyFYZFETVHWXPTJS-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.79
Rot. Bonds4

About 3-cyclohexylsulfanylbutan-1-amine

3-cyclohexylsulfanylbutan-1-amine (PubChem CID 60913150) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-cyclohexylsulfanylbutan-1-amine.

Molecular Properties

Compound Name3-cyclohexylsulfanylbutan-1-amine
PubChem CID60913150
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-cyclohexylsulfanylbutan-1-amine
SMILESCC(CCN)SC1CCCCC1
InChIInChI=1S/C10H21NS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyFYZFETVHWXPTJS-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
CID 66225345
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
CID 106440988
4-cyclohexylsulfanylpentanoic acid
CID 62213265
3-(2-ethylcyclohexyl)sulfanylbutan-1-amine
CID 66231198
3-(1,1-dioxothiolan-3-yl)sulfanylbutan-1-amine
CID 66231196
1-cyclohexylsulfanylethanamine
CID 22450260
1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol
CID 64815274
N-(2-cyclohexylsulfanylpropyl)pentan-2-amine
CID 62579529
1-cyclohexylsulfanylbutan-1-amine
CID 91464372
3-(4-aminobutan-2-ylsulfanyl)azepan-2-one
CID 66228606
3-(4-aminobutan-2-ylsulfanyl)-1-cycloheptylpyrrolidine-2,5-dione
CID 66231168

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanylbutan-1-amine?
The IUPAC name of 3-cyclohexylsulfanylbutan-1-amine (CID 60913150) is 3-cyclohexylsulfanylbutan-1-amine.
What is the SMILES notation for 3-cyclohexylsulfanylbutan-1-amine?
The canonical SMILES for 3-cyclohexylsulfanylbutan-1-amine is CC(CCN)SC1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfanylbutan-1-amine?
The InChIKey is FYZFETVHWXPTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 3-cyclohexylsulfanylbutan-1-amine?
3-cyclohexylsulfanylbutan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanylbutan-1-amine is sourced from PubChem (CID 60913150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).