2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide

C16H30N2O4S2 — CID 128777325

IUPAC2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S(=O)(CCC1CCCCC1)N1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C16H30N2O4S2/c19-23(20,14-9-15-5-2-1-3-6-15)17-11-7-16(8-12-17)18-10-4-13-24(18,21)22/h15-16H,1-14H2
InChIKeyWAPNSFYQUYXHIY-UHFFFAOYSA-N
MW378.56 g/mol
LogP1.79
Rot. Bonds5

About 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide

2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 128777325) has the molecular formula C16H30N2O4S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID128777325
Molecular FormulaC16H30N2O4S2
Molecular Weight378.56 g/mol
Exact Mass378.16
IUPAC Name2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S(=O)(CCC1CCCCC1)N1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C16H30N2O4S2/c19-23(20,14-9-15-5-2-1-3-6-15)17-11-7-16(8-12-17)18-10-4-13-24(18,21)22/h15-16H,1-14H2
InChIKeyWAPNSFYQUYXHIY-UHFFFAOYSA-N
XLogP1.79
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide (CID 128777325) is 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide is O=S(=O)(CCC1CCCCC1)N1CCC(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WAPNSFYQUYXHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4S2/c19-23(20,14-9-15-5-2-1-3-6-15)17-11-7-16(8-12-17)18-10-4-13-24(18,21)22/h15-16H,1-14H2.
What are the key properties of 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 378.56 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 128777325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).