1-amino-3-cyclohexylsulfanylpropan-2-ol

C9H19NOS — CID 60885564

IUPAC1-amino-3-cyclohexylsulfanylpropan-2-ol
SMILESNCC(O)CSC1CCCCC1
InChIInChI=1S/C9H19NOS/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-9,11H,1-7,10H2
InChIKeyPTGNZPAAQSOCQY-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.37
Rot. Bonds4

About 1-amino-3-cyclohexylsulfanylpropan-2-ol

1-amino-3-cyclohexylsulfanylpropan-2-ol (PubChem CID 60885564) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-amino-3-cyclohexylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-cyclohexylsulfanylpropan-2-ol
PubChem CID60885564
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-amino-3-cyclohexylsulfanylpropan-2-ol
SMILESNCC(O)CSC1CCCCC1
InChIInChI=1S/C9H19NOS/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-9,11H,1-7,10H2
InChIKeyPTGNZPAAQSOCQY-UHFFFAOYSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
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1-cyclopentylsulfanylhept-5-yn-2-ol
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1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
CID 65138544
1-(4-chlorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 65138542
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol
CID 79558650
1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 65139689
2,2-dimethoxyethylsulfanylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexylsulfanylpropan-2-ol?
The IUPAC name of 1-amino-3-cyclohexylsulfanylpropan-2-ol (CID 60885564) is 1-amino-3-cyclohexylsulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-3-cyclohexylsulfanylpropan-2-ol?
The canonical SMILES for 1-amino-3-cyclohexylsulfanylpropan-2-ol is NCC(O)CSC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexylsulfanylpropan-2-ol?
The InChIKey is PTGNZPAAQSOCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-9,11H,1-7,10H2.
What are the key properties of 1-amino-3-cyclohexylsulfanylpropan-2-ol?
1-amino-3-cyclohexylsulfanylpropan-2-ol has a molecular weight of 189.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexylsulfanylpropan-2-ol is sourced from PubChem (CID 60885564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).