1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine

C13H19ClN2O2S2 — CID 103100390

IUPAC1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
SMILESCc1cc(S(=O)(=O)N2CCCC2C2CCCN2)sc1Cl
InChIInChI=1S/C13H19ClN2O2S2/c1-9-8-12(19-13(9)14)20(17,18)16-7-3-5-11(16)10-4-2-6-15-10/h8,10-11,15H,2-7H2,1H3
InChIKeyBRZCLNRZYRMBTK-UHFFFAOYSA-N
MW334.89 g/mol
LogP2.62
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 103100390) has the molecular formula C13H19ClN2O2S2 and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
PubChem CID103100390
Molecular FormulaC13H19ClN2O2S2
Molecular Weight334.89 g/mol
Exact Mass334.06
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
SMILESCc1cc(S(=O)(=O)N2CCCC2C2CCCN2)sc1Cl
InChIInChI=1S/C13H19ClN2O2S2/c1-9-8-12(19-13(9)14)20(17,18)16-7-3-5-11(16)10-4-2-6-15-10/h8,10-11,15H,2-7H2,1H3
InChIKeyBRZCLNRZYRMBTK-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103100547
1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256423
3-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 103100200
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120712181
1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 62275261
methyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 103100590
1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 62275091
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
CID 103100544
5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272816
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
5-methyl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-oxazole
CID 62274428

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine (CID 103100390) is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine is Cc1cc(S(=O)(=O)N2CCCC2C2CCCN2)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is BRZCLNRZYRMBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S2/c1-9-8-12(19-13(9)14)20(17,18)16-7-3-5-11(16)10-4-2-6-15-10/h8,10-11,15H,2-7H2,1H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine?
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 334.89 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 103100390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).