2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide

C10H19N5O3S — CID 43706329

IUPAC2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)c1nncn1C
InChIInChI=1S/C10H19N5O3S/c1-7(9-14-12-6-15(9)2)13-10(16)8(11)4-5-19(3,17)18/h6-8H,4-5,11H2,1-3H3,(H,13,16)
InChIKeyNYWKRHQCMHSCJU-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.25
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide

2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide (PubChem CID 43706329) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
PubChem CID43706329
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)c1nncn1C
InChIInChI=1S/C10H19N5O3S/c1-7(9-14-12-6-15(9)2)13-10(16)8(11)4-5-19(3,17)18/h6-8H,4-5,11H2,1-3H3,(H,13,16)
InChIKeyNYWKRHQCMHSCJU-UHFFFAOYSA-N
XLogP-1.25
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide (CID 43706329) is 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide is CC(NC(=O)C(N)CCS(C)(=O)=O)c1nncn1C.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The InChIKey is NYWKRHQCMHSCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-7(9-14-12-6-15(9)2)13-10(16)8(11)4-5-19(3,17)18/h6-8H,4-5,11H2,1-3H3,(H,13,16).
What are the key properties of 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide has a molecular weight of 289.36 g/mol, XLogP of -1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 43706329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).