(2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide

C10H20N2O2S — CID 61178846

IUPAC(2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCSCC[C@H](N)C(=O)NCC1CCOC1
InChIInChI=1S/C10H20N2O2S/c1-15-5-3-9(11)10(13)12-6-8-2-4-14-7-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyISOMMSGDLQPSOD-GKAPJAKFSA-N
MW232.35 g/mol
LogP0.22
Rot. Bonds6

About (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide

(2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide (PubChem CID 61178846) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide
PubChem CID61178846
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCSCC[C@H](N)C(=O)NCC1CCOC1
InChIInChI=1S/C10H20N2O2S/c1-15-5-3-9(11)10(13)12-6-8-2-4-14-7-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyISOMMSGDLQPSOD-GKAPJAKFSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide (CID 61178846) is (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide is CSCC[C@H](N)C(=O)NCC1CCOC1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide?
The InChIKey is ISOMMSGDLQPSOD-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15-5-3-9(11)10(13)12-6-8-2-4-14-7-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide?
(2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide has a molecular weight of 232.35 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide is sourced from PubChem (CID 61178846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).