(5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione

C15H21ClN4O4S2 — CID 9244177

IUPAC(5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O
InChIInChI=1S/C15H21ClN4O4S2/c1-2-3-11-14(21)20(15(22)17-11)10-18-6-8-19(9-7-18)26(23,24)13-5-4-12(16)25-13/h4-5,11H,2-3,6-10H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeyKIGZPRSZKAGBJK-NSHDSACASA-N
MW420.94 g/mol
LogP1.39
Rot. Bonds6

About (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione

(5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 9244177) has the molecular formula C15H21ClN4O4S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID9244177
Molecular FormulaC15H21ClN4O4S2
Molecular Weight420.94 g/mol
Exact Mass420.07
IUPAC Name(5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O
InChIInChI=1S/C15H21ClN4O4S2/c1-2-3-11-14(21)20(15(22)17-11)10-18-6-8-19(9-7-18)26(23,24)13-5-4-12(16)25-13/h4-5,11H,2-3,6-10H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeyKIGZPRSZKAGBJK-NSHDSACASA-N
XLogP1.39
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42911216
(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 9172270
4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine
CID 60575695
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione
CID 9244184
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
CID 63340834
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one
CID 45352473
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione (CID 9244177) is (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione is CCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O.
What is the InChIKey of (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is KIGZPRSZKAGBJK-NSHDSACASA-N. The full InChI is InChI=1S/C15H21ClN4O4S2/c1-2-3-11-14(21)20(15(22)17-11)10-18-6-8-19(9-7-18)26(23,24)13-5-4-12(16)25-13/h4-5,11H,2-3,6-10H2,1H3,(H,17,22)/t11-/m0/s1.
What are the key properties of (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione?
(5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 420.94 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 9244177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).