(3R)-3-amino-3-methyl-5-sulfanylpentan-2-one

C6H13NOS — CID 146331601

IUPAC(3R)-3-amino-3-methyl-5-sulfanylpentan-2-one
SMILESCC(=O)[C@](C)(N)CCS
InChIInChI=1S/C6H13NOS/c1-5(8)6(2,7)3-4-9/h9H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeySVJNDWSJFVOSER-ZCFIWIBFSA-N
MW147.24 g/mol
LogP0.61
Rot. Bonds3

About (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one

(3R)-3-amino-3-methyl-5-sulfanylpentan-2-one (PubChem CID 146331601) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-3-methyl-5-sulfanylpentan-2-one
PubChem CID146331601
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(3R)-3-amino-3-methyl-5-sulfanylpentan-2-one
SMILESCC(=O)[C@](C)(N)CCS
InChIInChI=1S/C6H13NOS/c1-5(8)6(2,7)3-4-9/h9H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeySVJNDWSJFVOSER-ZCFIWIBFSA-N
XLogP0.61
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
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 (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one?
The IUPAC name of (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one (CID 146331601) is (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one.
What is the SMILES notation for (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one?
The canonical SMILES for (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one is CC(=O)[C@](C)(N)CCS.
What is the InChIKey of (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one?
The InChIKey is SVJNDWSJFVOSER-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(8)6(2,7)3-4-9/h9H,3-4,7H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one?
(3R)-3-amino-3-methyl-5-sulfanylpentan-2-one has a molecular weight of 147.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-methyl-5-sulfanylpentan-2-one is sourced from PubChem (CID 146331601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).