(2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride

C10H19ClN4O2S — CID 155972458

IUPAC(2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1nonc1C.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-6-7(14-16-13-6)5-12-9(15)8(11)10(2,3)17-4;/h8H,5,11H2,1-4H3,(H,12,15);1H/t8-;/m1./s1
InChIKeyDXINEFMLJWKNCP-DDWIOCJRSA-N
MW294.81 g/mol
LogP0.88
Rot. Bonds5

About (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride

(2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride (PubChem CID 155972458) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride
PubChem CID155972458
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC Name(2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1nonc1C.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-6-7(14-16-13-6)5-12-9(15)8(11)10(2,3)17-4;/h8H,5,11H2,1-4H3,(H,12,15);1H/t8-;/m1./s1
InChIKeyDXINEFMLJWKNCP-DDWIOCJRSA-N
XLogP0.88
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride (CID 155972458) is (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride is CSC(C)(C)[C@H](N)C(=O)NCc1nonc1C.Cl.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride?
The InChIKey is DXINEFMLJWKNCP-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-6-7(14-16-13-6)5-12-9(15)8(11)10(2,3)17-4;/h8H,5,11H2,1-4H3,(H,12,15);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride?
(2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 155972458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).