3-amino-2-methyl-5-methylsulfanylhexan-2-ol

C8H19NOS — CID 134285920

IUPAC3-amino-2-methyl-5-methylsulfanylhexan-2-ol
SMILESCSC(C)CC(N)C(C)(C)O
InChIInChI=1S/C8H19NOS/c1-6(11-4)5-7(9)8(2,3)10/h6-7,10H,5,9H2,1-4H3
InChIKeyHYTYEDBOIWYKPN-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.23
Rot. Bonds4

About 3-amino-2-methyl-5-methylsulfanylhexan-2-ol

3-amino-2-methyl-5-methylsulfanylhexan-2-ol (PubChem CID 134285920) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 3-amino-2-methyl-5-methylsulfanylhexan-2-ol.

Molecular Properties

Compound Name3-amino-2-methyl-5-methylsulfanylhexan-2-ol
PubChem CID134285920
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name3-amino-2-methyl-5-methylsulfanylhexan-2-ol
SMILESCSC(C)CC(N)C(C)(C)O
InChIInChI=1S/C8H19NOS/c1-6(11-4)5-7(9)8(2,3)10/h6-7,10H,5,9H2,1-4H3
InChIKeyHYTYEDBOIWYKPN-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959
2-methyl-3-methylsulfanylbutan-2-ol
CID 15164380
3-amino-4-methylpentane-1,4-diol
CID 58522169
(3R)-2,2,5-trimethylhexan-3-amine
CID 93312693
3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol
CID 90119324
(2S,5R)-2-amino-3-methyl-5-methylsulfanylhexanal
CID 173481918
(4S)-4-amino-3-tert-butyl-2,2,6-trimethylheptan-3-ol
CID 54045200
(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride
CID 171237157
(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol
CID 86674766
2,2-dimethyl-5-methylsulfanylhexane
CID 58033907
(3R,5R)-5-amino-2,2,6,6-tetramethylheptan-3-ol
CID 171237770
5-amino-2,2,6,6-tetramethylheptan-3-ol
CID 18738413

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-5-methylsulfanylhexan-2-ol?
The IUPAC name of 3-amino-2-methyl-5-methylsulfanylhexan-2-ol (CID 134285920) is 3-amino-2-methyl-5-methylsulfanylhexan-2-ol.
What is the SMILES notation for 3-amino-2-methyl-5-methylsulfanylhexan-2-ol?
The canonical SMILES for 3-amino-2-methyl-5-methylsulfanylhexan-2-ol is CSC(C)CC(N)C(C)(C)O.
What is the InChIKey of 3-amino-2-methyl-5-methylsulfanylhexan-2-ol?
The InChIKey is HYTYEDBOIWYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-6(11-4)5-7(9)8(2,3)10/h6-7,10H,5,9H2,1-4H3.
What are the key properties of 3-amino-2-methyl-5-methylsulfanylhexan-2-ol?
3-amino-2-methyl-5-methylsulfanylhexan-2-ol has a molecular weight of 177.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-5-methylsulfanylhexan-2-ol is sourced from PubChem (CID 134285920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).