[1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H22N2O4S2 — CID 47025738

IUPAC[1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)c(C)s1
InChIInChI=1S/C15H22N2O4S2/c1-11-10-14(12(2)22-11)23(19,20)17-5-3-4-13(17)15(18)16-6-8-21-9-7-16/h10,13H,3-9H2,1-2H3
InChIKeyBQZSMCLRVSGTCR-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.38
Rot. Bonds3

About [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 47025738) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID47025738
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Name[1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)c(C)s1
InChIInChI=1S/C15H22N2O4S2/c1-11-10-14(12(2)22-11)23(19,20)17-5-3-4-13(17)15(18)16-6-8-21-9-7-16/h10,13H,3-9H2,1-2H3
InChIKeyBQZSMCLRVSGTCR-UHFFFAOYSA-N
XLogP1.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-(5-methylthiophen-2-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide
CID 9979006
1-Morpholin-4-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 2365878
2-(5-chlorothien-2-yl)-n-methyl-n-{(3s)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
CID 58677369
(4aR*,7aS*)-1-(methoxyacetyl)-4-(2-thienylacetyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 72878307
N-(2,2-difluoroethyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 60608543
N-ethyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxamide
CID 60608868
4,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 120347378
(4,4-Difluoropyrrolidin-2-yl)-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 120349069
(4,4-Difluoropyrrolidin-2-yl)-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]methanone
CID 120349070
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 126810670
methyl (2S,4R)-4-(dimethylamino)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]pyrrolidine-2-carboxylate
CID 50967877
1-(4-Methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 137331339

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 47025738) is [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1cc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)c(C)s1.
What is the InChIKey of [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BQZSMCLRVSGTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-11-10-14(12(2)22-11)23(19,20)17-5-3-4-13(17)15(18)16-6-8-21-9-7-16/h10,13H,3-9H2,1-2H3.
What are the key properties of [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 358.49 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 47025738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).