1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine

C15H24N2O2S2 — CID 63256423

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2C2CCCN2)c(C)s1
InChIInChI=1S/C15H24N2O2S2/c1-11-10-15(12(2)20-11)21(18,19)17-9-4-3-7-14(17)13-6-5-8-16-13/h10,13-14,16H,3-9H2,1-2H3
InChIKeyIDPCURHGOHDULA-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.66
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine

1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256423) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine
PubChem CID63256423
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2C2CCCN2)c(C)s1
InChIInChI=1S/C15H24N2O2S2/c1-11-10-15(12(2)20-11)21(18,19)17-9-4-3-7-14(17)13-6-5-8-16-13/h10,13-14,16H,3-9H2,1-2H3
InChIKeyIDPCURHGOHDULA-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 103100390
(3aS,6aS)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597542
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine
CID 63256596
N,N-dimethyl-2-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 63256640
5-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272816
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 62275261
2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 63256684
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
CID 63256331
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
CID 63256330

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine (CID 63256423) is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine is Cc1cc(S(=O)(=O)N2CCCCC2C2CCCN2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine?
The InChIKey is IDPCURHGOHDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-11-10-15(12(2)20-11)21(18,19)17-9-4-3-7-14(17)13-6-5-8-16-13/h10,13-14,16H,3-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine?
1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine has a molecular weight of 328.50 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).