N-ethylsulfonyl-N-propan-2-ylethanesulfonamide

C7H17NO4S2 — CID 20824093

IUPACN-ethylsulfonyl-N-propan-2-ylethanesulfonamide
SMILESCCS(=O)(=O)N(C(C)C)S(=O)(=O)CC
InChIInChI=1S/C7H17NO4S2/c1-5-13(9,10)8(7(3)4)14(11,12)6-2/h7H,5-6H2,1-4H3
InChIKeyHYJXGVQDWDFBCT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.40
Rot. Bonds5

About N-ethylsulfonyl-N-propan-2-ylethanesulfonamide

N-ethylsulfonyl-N-propan-2-ylethanesulfonamide (PubChem CID 20824093) has the molecular formula C7H17NO4S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethylsulfonyl-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-ethylsulfonyl-N-propan-2-ylethanesulfonamide
PubChem CID20824093
Molecular FormulaC7H17NO4S2
Molecular Weight243.35 g/mol
Exact Mass243.06
IUPAC NameN-ethylsulfonyl-N-propan-2-ylethanesulfonamide
SMILESCCS(=O)(=O)N(C(C)C)S(=O)(=O)CC
InChIInChI=1S/C7H17NO4S2/c1-5-13(9,10)8(7(3)4)14(11,12)6-2/h7H,5-6H2,1-4H3
InChIKeyHYJXGVQDWDFBCT-UHFFFAOYSA-N
XLogP0.40
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-N-propan-2-ylethanesulfonamide?
The IUPAC name of N-ethylsulfonyl-N-propan-2-ylethanesulfonamide (CID 20824093) is N-ethylsulfonyl-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for N-ethylsulfonyl-N-propan-2-ylethanesulfonamide?
The canonical SMILES for N-ethylsulfonyl-N-propan-2-ylethanesulfonamide is CCS(=O)(=O)N(C(C)C)S(=O)(=O)CC.
What is the InChIKey of N-ethylsulfonyl-N-propan-2-ylethanesulfonamide?
The InChIKey is HYJXGVQDWDFBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S2/c1-5-13(9,10)8(7(3)4)14(11,12)6-2/h7H,5-6H2,1-4H3.
What are the key properties of N-ethylsulfonyl-N-propan-2-ylethanesulfonamide?
N-ethylsulfonyl-N-propan-2-ylethanesulfonamide has a molecular weight of 243.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 20824093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).