(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol

C5H13NO2S — CID 86651329

IUPAC(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol
SMILESCSC[C@H](O)[C@@H](N)CO
InChIInChI=1S/C5H13NO2S/c1-9-3-5(8)4(6)2-7/h4-5,7-8H,2-3,6H2,1H3/t4-,5-/m0/s1
InChIKeyKKBBWCQSDLWOBJ-WHFBIAKZSA-N
MW151.23 g/mol
LogP-0.97
Rot. Bonds4

About (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol

(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol (PubChem CID 86651329) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol
PubChem CID86651329
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol
SMILESCSC[C@H](O)[C@@H](N)CO
InChIInChI=1S/C5H13NO2S/c1-9-3-5(8)4(6)2-7/h4-5,7-8H,2-3,6H2,1H3/t4-,5-/m0/s1
InChIKeyKKBBWCQSDLWOBJ-WHFBIAKZSA-N
XLogP-0.97
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol
CID 46884294
(2R,3S,4R)-2-aminohexane-1,3,4-triol
CID 89364894
(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol
CID 126485687
(2S,3S)-2-amino-17-methyloctadecane-1,3-diol
CID 24740674
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
(2S,3S)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 58158430
(2R,3R)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 123374963
2-aminopropan-1-ol;hydrofluoride
CID 22617394

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol?
The IUPAC name of (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol (CID 86651329) is (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol?
The canonical SMILES for (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol is CSC[C@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol?
The InChIKey is KKBBWCQSDLWOBJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-9-3-5(8)4(6)2-7/h4-5,7-8H,2-3,6H2,1H3/t4-,5-/m0/s1.
What are the key properties of (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol?
(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol has a molecular weight of 151.23 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol is sourced from PubChem (CID 86651329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).