2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine

C15H17N3O2S — CID 175652445

IUPAC2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
SMILESCc1ccnc(C2CCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C15H17N3O2S/c1-12-7-9-16-15(17-12)13-8-10-18(11-13)21(19,20)14-5-3-2-4-6-14/h2-7,9,13H,8,10-11H2,1H3
InChIKeyRZXZFZQPEOSSES-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.96
Rot. Bonds3

About 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine (PubChem CID 175652445) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
PubChem CID175652445
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
SMILESCc1ccnc(C2CCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C15H17N3O2S/c1-12-7-9-16-15(17-12)13-8-10-18(11-13)21(19,20)14-5-3-2-4-6-14/h2-7,9,13H,8,10-11H2,1H3
InChIKeyRZXZFZQPEOSSES-UHFFFAOYSA-N
XLogP1.96
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110103731
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine
CID 124949714
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
4,6-dimethyl-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidine
CID 175652484
2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine
CID 110115437
2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine
CID 95834680
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
CID 91911685
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
CID 110115458
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 131673418

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine?
The IUPAC name of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine (CID 175652445) is 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine is Cc1ccnc(C2CCN(S(=O)(=O)c3ccccc3)C2)n1.
What is the InChIKey of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine?
The InChIKey is RZXZFZQPEOSSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-12-7-9-16-15(17-12)13-8-10-18(11-13)21(19,20)14-5-3-2-4-6-14/h2-7,9,13H,8,10-11H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine?
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine has a molecular weight of 303.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine is sourced from PubChem (CID 175652445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).