(2S)-3-methyl-2-(sulfanylamino)butan-1-ol

C5H13NOS — CID 89196586

IUPAC(2S)-3-methyl-2-(sulfanylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NS
InChIInChI=1S/C5H13NOS/c1-4(2)5(3-7)6-8/h4-8H,3H2,1-2H3/t5-/m1/s1
InChIKeyXOHMMNJUELOVQG-RXMQYKEDSA-N
MW135.23 g/mol
LogP0.44
Rot. Bonds3

About (2S)-3-methyl-2-(sulfanylamino)butan-1-ol

(2S)-3-methyl-2-(sulfanylamino)butan-1-ol (PubChem CID 89196586) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is (2S)-3-methyl-2-(sulfanylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(sulfanylamino)butan-1-ol
PubChem CID89196586
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name(2S)-3-methyl-2-(sulfanylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NS
InChIInChI=1S/C5H13NOS/c1-4(2)5(3-7)6-8/h4-8H,3H2,1-2H3/t5-/m1/s1
InChIKeyXOHMMNJUELOVQG-RXMQYKEDSA-N
XLogP0.44
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(sulfanylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(sulfanylamino)butan-1-ol (CID 89196586) is (2S)-3-methyl-2-(sulfanylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(sulfanylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(sulfanylamino)butan-1-ol is CC(C)[C@@H](CO)NS.
What is the InChIKey of (2S)-3-methyl-2-(sulfanylamino)butan-1-ol?
The InChIKey is XOHMMNJUELOVQG-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NOS/c1-4(2)5(3-7)6-8/h4-8H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(sulfanylamino)butan-1-ol?
(2S)-3-methyl-2-(sulfanylamino)butan-1-ol has a molecular weight of 135.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(sulfanylamino)butan-1-ol is sourced from PubChem (CID 89196586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).