2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine

C9H12ClN3O2S — CID 60974393

IUPAC2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
SMILESCC1CCCN1S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C9H12ClN3O2S/c1-7-3-2-4-13(7)16(14,15)8-5-11-9(10)12-6-8/h5-7H,2-4H2,1H3
InChIKeyKHHMMIPCHMYVTN-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.30
Rot. Bonds2

About 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine

2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine (PubChem CID 60974393) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
PubChem CID60974393
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
SMILESCC1CCCN1S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C9H12ClN3O2S/c1-7-3-2-4-13(7)16(14,15)8-5-11-9(10)12-6-8/h5-7H,2-4H2,1H3
InChIKeyKHHMMIPCHMYVTN-UHFFFAOYSA-N
XLogP1.30
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine
CID 104967307
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
1-(2-chloropyrimidin-5-yl)sulfonyl-4-methylazepane
CID 55249605
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
4-bromo-1-chloro-7-[(2S)-2-methylpyrrolidin-1-yl]sulfonylisoquinoline
CID 54067483
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463
2-ethoxy-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyridine
CID 97348801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine?
The IUPAC name of 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine (CID 60974393) is 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine.
What is the SMILES notation for 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine?
The canonical SMILES for 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine is CC1CCCN1S(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine?
The InChIKey is KHHMMIPCHMYVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-7-3-2-4-13(7)16(14,15)8-5-11-9(10)12-6-8/h5-7H,2-4H2,1H3.
What are the key properties of 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine?
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine has a molecular weight of 261.73 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine is sourced from PubChem (CID 60974393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).