(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C13H17N3O4S2 — CID 9496421

IUPAC(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)N1
InChIInChI=1S/C13H17N3O4S2/c17-11-4-3-10(14-11)13(18)15-5-7-16(8-6-15)22(19,20)12-2-1-9-21-12/h1-2,9-10H,3-8H2,(H,14,17)/t10-/m1/s1
InChIKeyKIUNUFWXFXLBKP-SNVBAGLBSA-N
MW343.43 g/mol
LogP-0.14
Rot. Bonds3

About (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 9496421) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID9496421
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC Name(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)N1
InChIInChI=1S/C13H17N3O4S2/c17-11-4-3-10(14-11)13(18)15-5-7-16(8-6-15)22(19,20)12-2-1-9-21-12/h1-2,9-10H,3-8H2,(H,14,17)/t10-/m1/s1
InChIKeyKIUNUFWXFXLBKP-SNVBAGLBSA-N
XLogP-0.14
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 9299449
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
5-[4-(2-chlorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808945
(4S)-1-phenyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29137343
oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2970302
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
(1S,6R)-3,4-dimethyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 27524803
3,4-dimethyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 17377442
(1R,6S)-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 27521047
6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 17377444
N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 9496421) is (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)N1.
What is the InChIKey of (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is KIUNUFWXFXLBKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c17-11-4-3-10(14-11)13(18)15-5-7-16(8-6-15)22(19,20)12-2-1-9-21-12/h1-2,9-10H,3-8H2,(H,14,17)/t10-/m1/s1.
What are the key properties of (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 9496421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).