3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide

C11H22N2O4S2 — CID 71809374

IUPAC3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H22N2O4S2/c1-12(2)19(16,17)13-8-11(9-13)18(14,15)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKeySEHMEEIEVGTRCI-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.22
Rot. Bonds4

About 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide

3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide (PubChem CID 71809374) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide
PubChem CID71809374
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H22N2O4S2/c1-12(2)19(16,17)13-8-11(9-13)18(14,15)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKeySEHMEEIEVGTRCI-UHFFFAOYSA-N
XLogP0.22
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide (CID 71809374) is 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide?
The InChIKey is SEHMEEIEVGTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-12(2)19(16,17)13-8-11(9-13)18(14,15)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide?
3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfonyl-N,N-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 71809374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).