2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide

C21H33NO4S2 — CID 160733134

IUPAC2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2cccc(N3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C21H33NO4S2/c1-17(2)27(23,24)16-20-11-8-18(9-12-20)7-10-19-5-3-6-21(15-19)22-13-4-14-28(22,25)26/h3,5-6,15,17-18,20H,4,7-14,16H2,1-2H3
InChIKeyMPFGVRDGCMMVQO-UHFFFAOYSA-N
MW427.63 g/mol
LogP3.79
Rot. Bonds7

About 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide

2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 160733134) has the molecular formula C21H33NO4S2 and a molecular weight of 427.63 g/mol. Its IUPAC name is 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID160733134
Molecular FormulaC21H33NO4S2
Molecular Weight427.63 g/mol
Exact Mass427.19
IUPAC Name2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2cccc(N3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C21H33NO4S2/c1-17(2)27(23,24)16-20-11-8-18(9-12-20)7-10-19-5-3-6-21(15-19)22-13-4-14-28(22,25)26/h3,5-6,15,17-18,20H,4,7-14,16H2,1-2H3
InChIKeyMPFGVRDGCMMVQO-UHFFFAOYSA-N
XLogP3.79
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide with MolForge

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Related Compounds

3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
CID 59545342
1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 161260281
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 160603486
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-4-ethylazepane-1-carboxamide
CID 126778746
N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
CID 159384134
1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159200457
2-[4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperazin-1-yl]pyrimidine
CID 158496312
1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159613987
(3R,5R)-3,5-dimethyl-1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine
CID 157456647
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-methyl-3-phenylbutan-2-amine
CID 126779035
1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole
CID 59231417

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide (CID 160733134) is 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide is CC(C)S(=O)(=O)CC1CCC(CCc2cccc(N3CCCS3(=O)=O)c2)CC1.
What is the InChIKey of 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MPFGVRDGCMMVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4S2/c1-17(2)27(23,24)16-20-11-8-18(9-12-20)7-10-19-5-3-6-21(15-19)22-13-4-14-28(22,25)26/h3,5-6,15,17-18,20H,4,7-14,16H2,1-2H3.
What are the key properties of 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide?
2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 427.63 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 160733134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).