(3S)-3-aminohexan-1-ol;sulfane;hydrochloride

C6H18ClNOS — CID 161031770

IUPAC(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
SMILESCCC[C@H](N)CCO.Cl.S
InChIInChI=1S/C6H15NO.ClH.H2S/c1-2-3-6(7)4-5-8;;/h6,8H,2-5,7H2,1H3;1H;1H2/t6-;;/m0../s1
InChIKeyHJRWJGQPJAIYAB-ILKKLZGPSA-N
MW187.74 g/mol
LogP1.03
Rot. Bonds4

About (3S)-3-aminohexan-1-ol;sulfane;hydrochloride

(3S)-3-aminohexan-1-ol;sulfane;hydrochloride (PubChem CID 161031770) has the molecular formula C6H18ClNOS and a molecular weight of 187.74 g/mol. Its IUPAC name is (3S)-3-aminohexan-1-ol;sulfane;hydrochloride.

Molecular Properties

Compound Name(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
PubChem CID161031770
Molecular FormulaC6H18ClNOS
Molecular Weight187.74 g/mol
Exact Mass187.08
IUPAC Name(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
SMILESCCC[C@H](N)CCO.Cl.S
InChIInChI=1S/C6H15NO.ClH.H2S/c1-2-3-6(7)4-5-8;;/h6,8H,2-5,7H2,1H3;1H;1H2/t6-;;/m0../s1
InChIKeyHJRWJGQPJAIYAB-ILKKLZGPSA-N
XLogP1.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.74
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-aminononan-1-ol;hydrochloride
CID 55255753
azane;heptan-4-amine
CID 118430725
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
3,5-diaminopentan-1-ol;hydrobromide
CID 175509083
1-iodohexan-3-amine
CID 126638870
(4R)-tridecan-4-amine
CID 150614684
hexane-1,3-diol;hydrochloride
CID 141150111
3-aminohexane-1,6-diol;azane
CID 173455648
3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminohexan-1-ol;sulfane;hydrochloride?
The IUPAC name of (3S)-3-aminohexan-1-ol;sulfane;hydrochloride (CID 161031770) is (3S)-3-aminohexan-1-ol;sulfane;hydrochloride.
What is the SMILES notation for (3S)-3-aminohexan-1-ol;sulfane;hydrochloride?
The canonical SMILES for (3S)-3-aminohexan-1-ol;sulfane;hydrochloride is CCC[C@H](N)CCO.Cl.S.
What is the InChIKey of (3S)-3-aminohexan-1-ol;sulfane;hydrochloride?
The InChIKey is HJRWJGQPJAIYAB-ILKKLZGPSA-N. The full InChI is InChI=1S/C6H15NO.ClH.H2S/c1-2-3-6(7)4-5-8;;/h6,8H,2-5,7H2,1H3;1H;1H2/t6-;;/m0../s1.
What are the key properties of (3S)-3-aminohexan-1-ol;sulfane;hydrochloride?
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride has a molecular weight of 187.74 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminohexan-1-ol;sulfane;hydrochloride is sourced from PubChem (CID 161031770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).