3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide

C7H16N2O4S2 — CID 121164691

IUPAC3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C7H16N2O4S2/c1-4-14(10,11)7-5-9(6-7)15(12,13)8(2)3/h7H,4-6H2,1-3H3
InChIKeyRUSUEPKSZNOIRN-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.09
Rot. Bonds4

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

3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide (PubChem CID 121164691) has the molecular formula C7H16N2O4S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide
PubChem CID121164691
Molecular FormulaC7H16N2O4S2
Molecular Weight256.35 g/mol
Exact Mass256.06
IUPAC Name3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C7H16N2O4S2/c1-4-14(10,11)7-5-9(6-7)15(12,13)8(2)3/h7H,4-6H2,1-3H3
InChIKeyRUSUEPKSZNOIRN-UHFFFAOYSA-N
XLogP-1.09
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide (CID 121164691) is 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide is CCS(=O)(=O)C1CN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide?
The InChIKey is RUSUEPKSZNOIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S2/c1-4-14(10,11)7-5-9(6-7)15(12,13)8(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide?
3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide has a molecular weight of 256.35 g/mol, XLogP of -1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 121164691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).