(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride

C11H24ClNS — CID 20699042

IUPAC(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride
SMILESCCSC[C@@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C11H23NS.ClH/c1-2-13-9-11(12)8-10-6-4-3-5-7-10;/h10-11H,2-9,12H2,1H3;1H/t11-;/m0./s1
InChIKeyYFLOXSOKAQWGRA-MERQFXBCSA-N
MW237.84 g/mol
LogP3.46
Rot. Bonds5

About (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride

(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride (PubChem CID 20699042) has the molecular formula C11H24ClNS and a molecular weight of 237.84 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride
PubChem CID20699042
Molecular FormulaC11H24ClNS
Molecular Weight237.84 g/mol
Exact Mass237.13
IUPAC Name(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride
SMILESCCSC[C@@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C11H23NS.ClH/c1-2-13-9-11(12)8-10-6-4-3-5-7-10;/h10-11H,2-9,12H2,1H3;1H/t11-;/m0./s1
InChIKeyYFLOXSOKAQWGRA-MERQFXBCSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride (CID 20699042) is (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride is CCSC[C@@H](N)CC1CCCCC1.Cl.
What is the InChIKey of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride?
The InChIKey is YFLOXSOKAQWGRA-MERQFXBCSA-N. The full InChI is InChI=1S/C11H23NS.ClH/c1-2-13-9-11(12)8-10-6-4-3-5-7-10;/h10-11H,2-9,12H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride?
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride has a molecular weight of 237.84 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride is sourced from PubChem (CID 20699042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).