N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide

C17H22N4O2S — CID 154582643

IUPACN-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
SMILESCc1nccc(N2CCC(N(C)S(=O)(=O)Cc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O2S/c1-14-18-10-8-17(19-14)21-11-9-16(12-21)20(2)24(22,23)13-15-6-4-3-5-7-15/h3-8,10,16H,9,11-13H2,1-2H3
InChIKeyFWDWLRLNYCHPKA-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.83
Rot. Bonds5

About N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide

N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide (PubChem CID 154582643) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
PubChem CID154582643
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
SMILESCc1nccc(N2CCC(N(C)S(=O)(=O)Cc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O2S/c1-14-18-10-8-17(19-14)21-11-9-16(12-21)20(2)24(22,23)13-15-6-4-3-5-7-15/h3-8,10,16H,9,11-13H2,1-2H3
InChIKeyFWDWLRLNYCHPKA-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
N-[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582926
N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 154883300
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582766
N-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582684
N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine
CID 86777943
1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
N-methyl-N-[1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]azepan-4-yl]-1-phenylmethanesulfonamide
CID 110151701
N-[1-(2,4-dimethylpyrimidine-5-carbonyl)azepan-4-yl]-N-methyl-1-phenylmethanesulfonamide
CID 110248529

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide (CID 154582643) is N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide is Cc1nccc(N2CCC(N(C)S(=O)(=O)Cc3ccccc3)C2)n1.
What is the InChIKey of N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is FWDWLRLNYCHPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-14-18-10-8-17(19-14)21-11-9-16(12-21)20(2)24(22,23)13-15-6-4-3-5-7-15/h3-8,10,16H,9,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 154582643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).