2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide

C11H17N3O3S — CID 114598664

IUPAC2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-8(2)14-10(15)7-13-11-9(18(3,16)17)5-4-6-12-11/h4-6,8H,7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVSRRYFSITKPORM-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.42
Rot. Bonds5

About 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide

2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide (PubChem CID 114598664) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
PubChem CID114598664
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-8(2)14-10(15)7-13-11-9(18(3,16)17)5-4-6-12-11/h4-6,8H,7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVSRRYFSITKPORM-UHFFFAOYSA-N
XLogP0.42
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
2-[(3-methylsulfonyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 114599217
2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114153459
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
2-[(2-amino-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 62146480
3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 114598706
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
CID 114598752
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
CID 106155564
N-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598969
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide (CID 114598664) is 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ncccc1S(C)(=O)=O.
What is the InChIKey of 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The InChIKey is VSRRYFSITKPORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(2)14-10(15)7-13-11-9(18(3,16)17)5-4-6-12-11/h4-6,8H,7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide?
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide has a molecular weight of 271.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 114598664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).