1-cyclohexyl-3-ethylsulfanylpropan-2-amine

C11H23NS — CID 18361101

IUPAC1-cyclohexyl-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)CC1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3
InChIKeyQBHWEWCWYAPTGS-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds5

About 1-cyclohexyl-3-ethylsulfanylpropan-2-amine

1-cyclohexyl-3-ethylsulfanylpropan-2-amine (PubChem CID 18361101) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-ethylsulfanylpropan-2-amine
PubChem CID18361101
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-cyclohexyl-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)CC1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3
InChIKeyQBHWEWCWYAPTGS-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethylsulfanylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-3-ethylsulfanylpropan-2-amine (CID 18361101) is 1-cyclohexyl-3-ethylsulfanylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-ethylsulfanylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-ethylsulfanylpropan-2-amine is CCSCC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethylsulfanylpropan-2-amine?
The InChIKey is QBHWEWCWYAPTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-cyclohexyl-3-ethylsulfanylpropan-2-amine?
1-cyclohexyl-3-ethylsulfanylpropan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 18361101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).