(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide

C10H20N2O2S — CID 119336130

IUPAC(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
SMILESCSC1(CNC(=O)[C@@H](C)N)CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-8(11)9(13)12-7-10(15-2)3-5-14-6-4-10/h8H,3-7,11H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyWBFXTTPFDRUJOC-MRVPVSSYSA-N
MW232.35 g/mol
LogP0.36
Rot. Bonds4

About (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide

(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide (PubChem CID 119336130) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
PubChem CID119336130
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
SMILESCSC1(CNC(=O)[C@@H](C)N)CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-8(11)9(13)12-7-10(15-2)3-5-14-6-4-10/h8H,3-7,11H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyWBFXTTPFDRUJOC-MRVPVSSYSA-N
XLogP0.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide (CID 119336130) is (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide is CSC1(CNC(=O)[C@@H](C)N)CCOCC1.
What is the InChIKey of (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide?
The InChIKey is WBFXTTPFDRUJOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(11)9(13)12-7-10(15-2)3-5-14-6-4-10/h8H,3-7,11H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide?
(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide has a molecular weight of 232.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 119336130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).