2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide

C10H18N4O3S — CID 122570467

IUPAC2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1C(C)NC(=O)CS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-4-5-14-10(11-7-12-14)8(2)13-9(15)6-18(3,16)17/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyWKAQHEBAKVMBLV-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.09
Rot. Bonds6

About 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 122570467) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID122570467
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1C(C)NC(=O)CS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-4-5-14-10(11-7-12-14)8(2)13-9(15)6-18(3,16)17/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyWKAQHEBAKVMBLV-UHFFFAOYSA-N
XLogP-0.09
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122567315
3-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125444216
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
3-(4-methyl-1,2,4-triazol-3-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118793035
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125440955
5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole
CID 122562994
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 118784796
2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125161067
formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 154907579

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 122570467) is 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCCn1ncnc1C(C)NC(=O)CS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is WKAQHEBAKVMBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-4-5-14-10(11-7-12-14)8(2)13-9(15)6-18(3,16)17/h7-8H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 274.35 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 122570467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).