[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol

C11H21NO3S — CID 135152307

IUPAC[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
SMILESO=S1(=O)CCCN1CC1CCC(CO)CC1
InChIInChI=1S/C11H21NO3S/c13-9-11-4-2-10(3-5-11)8-12-6-1-7-16(12,14)15/h10-11,13H,1-9H2
InChIKeyUGKPDUFAKNBONO-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.82
Rot. Bonds3

About [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol

[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol (PubChem CID 135152307) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
PubChem CID135152307
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
SMILESO=S1(=O)CCCN1CC1CCC(CO)CC1
InChIInChI=1S/C11H21NO3S/c13-9-11-4-2-10(3-5-11)8-12-6-1-7-16(12,14)15/h10-11,13H,1-9H2
InChIKeyUGKPDUFAKNBONO-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-(Cyclohexylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62371166
[4-[(1,1-Dihydroxy-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfonate
CID 135152354
[4-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfonate
CID 135152356
[4-[(1-Oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfinate
CID 135173341
[4-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
CID 135173595
[4-[(1-Oxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methyl methanesulfonate;hydrate
CID 142383309
[2-[[4-(Hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride
CID 155140394
[4-(1,2-Thiazolidin-2-ylmethyl)cyclohexyl]methyl methanesulfinate
CID 156393045
[2-[[4-(Hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]methanesulfonyl chloride
CID 166838882
[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 54947577
[(2S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 56794304
3-[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62467761

Frequently Asked Questions

What is the IUPAC name of [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol (CID 135152307) is [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol is O=S1(=O)CCCN1CC1CCC(CO)CC1.
What is the InChIKey of [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol?
The InChIKey is UGKPDUFAKNBONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-9-11-4-2-10(3-5-11)8-12-6-1-7-16(12,14)15/h10-11,13H,1-9H2.
What are the key properties of [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol?
[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol has a molecular weight of 247.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 135152307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).