2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide

C15H26N4O2S — CID 138009476

IUPAC2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C1CCCCN1Cc1nccn1C)N1CCCS1(=O)=O
InChIInChI=1S/C15H26N4O2S/c1-13(19-9-5-11-22(19,20)21)14-6-3-4-8-18(14)12-15-16-7-10-17(15)2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3
InChIKeyXUQXURDQCUGTHZ-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.20
Rot. Bonds4

About 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide

2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 138009476) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID138009476
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C1CCCCN1Cc1nccn1C)N1CCCS1(=O)=O
InChIInChI=1S/C15H26N4O2S/c1-13(19-9-5-11-22(19,20)21)14-6-3-4-8-18(14)12-15-16-7-10-17(15)2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3
InChIKeyXUQXURDQCUGTHZ-UHFFFAOYSA-N
XLogP1.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70771745
3-(1-Tetradecyl-3-imidazolio)propanesulfonate
CID 102052561
2-Methyl-1-[(1-methylimidazol-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
CID 53594681
(4aR*,7aS*)-1-methyl-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70728375
(4aS*,7aR*)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-propyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70744632
3-[(1-Methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
CID 71847499
2-[2-(2-Propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 84590517
4-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]thiomorpholine 1,1-dioxide
CID 91834197
1-[3-(2-methyl-1H-imidazol-1-yl)propyl]-4-(methylsulfonyl)piperazine
CID 91841379
1-(2,2-difluorocyclobutyl)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylmethanesulfonamide
CID 138031473
(3S)-1-(4,4-dimethylpentylsulfonyl)-3-(2-ethylimidazol-1-yl)piperidine
CID 164636406

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide (CID 138009476) is 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide is CC(C1CCCCN1Cc1nccn1C)N1CCCS1(=O)=O.
What is the InChIKey of 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is XUQXURDQCUGTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-13(19-9-5-11-22(19,20)21)14-6-3-4-8-18(14)12-15-16-7-10-17(15)2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 326.47 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 138009476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).