(3R)-3-amino-5-methylsulfinylpentan-1-ol

C6H15NO2S — CID 163568713

IUPAC(3R)-3-amino-5-methylsulfinylpentan-1-ol
SMILESCS(=O)CC[C@H](N)CCO
InChIInChI=1S/C6H15NO2S/c1-10(9)5-3-6(7)2-4-8/h6,8H,2-5,7H2,1H3/t6-,10?/m1/s1
InChIKeyFXJUUMHFYCIDMU-ZMMDDIOLSA-N
MW165.26 g/mol
LogP-0.54
Rot. Bonds5

About (3R)-3-amino-5-methylsulfinylpentan-1-ol

(3R)-3-amino-5-methylsulfinylpentan-1-ol (PubChem CID 163568713) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is (3R)-3-amino-5-methylsulfinylpentan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-5-methylsulfinylpentan-1-ol
PubChem CID163568713
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name(3R)-3-amino-5-methylsulfinylpentan-1-ol
SMILESCS(=O)CC[C@H](N)CCO
InChIInChI=1S/C6H15NO2S/c1-10(9)5-3-6(7)2-4-8/h6,8H,2-5,7H2,1H3/t6-,10?/m1/s1
InChIKeyFXJUUMHFYCIDMU-ZMMDDIOLSA-N
XLogP-0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-methyl-1-methylsulfinylhexan-3-amine
CID 178163318
5-amino-7-hydroxyheptan-2-one
CID 175205558
3,5-diaminopentan-1-ol;hydrobromide
CID 175509083
2-amino-N-methyl-4-methylsulfinylbutanamide
CID 58684641
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
3-aminohexane-1,6-diol;azane
CID 173455648
3-aminoheptane-1-sulfinic acid
CID 143275379
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
3-aminononan-1-ol;hydrochloride
CID 55255753
(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid
CID 90017502
sodium;hydride;methylsulfinylmethanol
CID 173447451
3-amino-5-hydroxypentanamide
CID 154064496

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-methylsulfinylpentan-1-ol?
The IUPAC name of (3R)-3-amino-5-methylsulfinylpentan-1-ol (CID 163568713) is (3R)-3-amino-5-methylsulfinylpentan-1-ol.
What is the SMILES notation for (3R)-3-amino-5-methylsulfinylpentan-1-ol?
The canonical SMILES for (3R)-3-amino-5-methylsulfinylpentan-1-ol is CS(=O)CC[C@H](N)CCO.
What is the InChIKey of (3R)-3-amino-5-methylsulfinylpentan-1-ol?
The InChIKey is FXJUUMHFYCIDMU-ZMMDDIOLSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-10(9)5-3-6(7)2-4-8/h6,8H,2-5,7H2,1H3/t6-,10?/m1/s1.
What are the key properties of (3R)-3-amino-5-methylsulfinylpentan-1-ol?
(3R)-3-amino-5-methylsulfinylpentan-1-ol has a molecular weight of 165.26 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-methylsulfinylpentan-1-ol is sourced from PubChem (CID 163568713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).