(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

C16H22N4O4S2 — CID 34647547

IUPAC(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O
InChIInChI=1S/C16H22N4O4S2/c1-16(12-4-5-12)14(21)20(15(22)17-16)11-18-6-8-19(9-7-18)26(23,24)13-3-2-10-25-13/h2-3,10,12H,4-9,11H2,1H3,(H,17,22)/t16-/m1/s1
InChIKeyLBWBAUBXSPBUQQ-MRXNPFEDSA-N
MW398.51 g/mol
LogP0.73
Rot. Bonds5

About (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 34647547) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID34647547
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC Name(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O
InChIInChI=1S/C16H22N4O4S2/c1-16(12-4-5-12)14(21)20(15(22)17-16)11-18-6-8-19(9-7-18)26(23,24)13-3-2-10-25-13/h2-3,10,12H,4-9,11H2,1H3,(H,17,22)/t16-/m1/s1
InChIKeyLBWBAUBXSPBUQQ-MRXNPFEDSA-N
XLogP0.73
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 50.73
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-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2549443
(5S,6R)-6-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31317083
(5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 31325239
(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 31325392
(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9193268
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
(1S,4S)-7,7-dimethyl-1-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
CID 98269632
(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione
CID 124838181
(1R,2S,6S,7S)-4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6551128
(1R,2S,6R,7R)-4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 18389432
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione (CID 34647547) is (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione is C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O.
What is the InChIKey of (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is LBWBAUBXSPBUQQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-16(12-4-5-12)14(21)20(15(22)17-16)11-18-6-8-19(9-7-18)26(23,24)13-3-2-10-25-13/h2-3,10,12H,4-9,11H2,1H3,(H,17,22)/t16-/m1/s1.
What are the key properties of (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 398.51 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 34647547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).