2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

C9H17N5O3S — CID 103827821

IUPAC2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)c1ncn[nH]1
InChIInChI=1S/C9H17N5O3S/c1-6(8-11-5-12-14-8)13-9(15)7(10)3-4-18(2,16)17/h5-7H,3-4,10H2,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyXZKHVATZBNZGRU-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.26
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (PubChem CID 103827821) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
PubChem CID103827821
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)c1ncn[nH]1
InChIInChI=1S/C9H17N5O3S/c1-6(8-11-5-12-14-8)13-9(15)7(10)3-4-18(2,16)17/h5-7H,3-4,10H2,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyXZKHVATZBNZGRU-UHFFFAOYSA-N
XLogP-1.26
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 65362596
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249265
3-chloro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282499
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65360783
2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
CID 83178040
2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
CID 43545601

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (CID 103827821) is 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is CC(NC(=O)C(N)CCS(C)(=O)=O)c1ncn[nH]1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The InChIKey is XZKHVATZBNZGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-6(8-11-5-12-14-8)13-9(15)7(10)3-4-18(2,16)17/h5-7H,3-4,10H2,1-2H3,(H,13,15)(H,11,12,14).
What are the key properties of 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide has a molecular weight of 275.33 g/mol, XLogP of -1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 103827821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).