N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide

C11H19N3O4S2 — CID 114598887

IUPACN-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncccc1S(C)(=O)=O)NS(C)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-11(2,14-20(4,17)18)8-13-10-9(19(3,15)16)6-5-7-12-10/h5-7,14H,8H2,1-4H3,(H,12,13)
InChIKeyJUXUQHVVRFUQGL-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.22
Rot. Bonds6

About N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide (PubChem CID 114598887) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
PubChem CID114598887
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC NameN-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncccc1S(C)(=O)=O)NS(C)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-11(2,14-20(4,17)18)8-13-10-9(19(3,15)16)6-5-7-12-10/h5-7,14H,8H2,1-4H3,(H,12,13)
InChIKeyJUXUQHVVRFUQGL-UHFFFAOYSA-N
XLogP0.22
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 106545025
N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine
CID 106544549
N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide
CID 63860050
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 114598664
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598850
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide (CID 114598887) is N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide is CC(C)(CNc1ncccc1S(C)(=O)=O)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is JUXUQHVVRFUQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-11(2,14-20(4,17)18)8-13-10-9(19(3,15)16)6-5-7-12-10/h5-7,14H,8H2,1-4H3,(H,12,13).
What are the key properties of N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 114598887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).