[2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride

C12H22ClNO5S2 — CID 155140394

IUPAC[2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCS(=O)(=O)N1CC1CCC(CO)CC1
InChIInChI=1S/C12H22ClNO5S2/c13-20(16,17)9-12-5-6-21(18,19)14(12)7-10-1-3-11(8-15)4-2-10/h10-12,15H,1-9H2
InChIKeyHVWXCYDAUKHYRU-UHFFFAOYSA-N
MW359.90 g/mol
LogP0.76
Rot. Bonds5

About [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride

[2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride (PubChem CID 155140394) has the molecular formula C12H22ClNO5S2 and a molecular weight of 359.90 g/mol. Its IUPAC name is [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride
PubChem CID155140394
Molecular FormulaC12H22ClNO5S2
Molecular Weight359.90 g/mol
Exact Mass359.06
IUPAC Name[2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCS(=O)(=O)N1CC1CCC(CO)CC1
InChIInChI=1S/C12H22ClNO5S2/c13-20(16,17)9-12-5-6-21(18,19)14(12)7-10-1-3-11(8-15)4-2-10/h10-12,15H,1-9H2
InChIKeyHVWXCYDAUKHYRU-UHFFFAOYSA-N
XLogP0.76
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride (CID 155140394) is [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC1CCS(=O)(=O)N1CC1CCC(CO)CC1.
What is the InChIKey of [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride?
The InChIKey is HVWXCYDAUKHYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO5S2/c13-20(16,17)9-12-5-6-21(18,19)14(12)7-10-1-3-11(8-15)4-2-10/h10-12,15H,1-9H2.
What are the key properties of [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride?
[2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride has a molecular weight of 359.90 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 155140394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).