(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide

C8H19NO2S — CID 97095663

IUPAC(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide
SMILESCC[C@@H](C)CS(=O)(=O)N(C)CC
InChIInChI=1S/C8H19NO2S/c1-5-8(3)7-12(10,11)9(4)6-2/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyVDBHARPAZSMHOM-MRVPVSSYSA-N
MW193.31 g/mol
LogP1.31
Rot. Bonds5

About (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide

(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide (PubChem CID 97095663) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide
PubChem CID97095663
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide
SMILESCC[C@@H](C)CS(=O)(=O)N(C)CC
InChIInChI=1S/C8H19NO2S/c1-5-8(3)7-12(10,11)9(4)6-2/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyVDBHARPAZSMHOM-MRVPVSSYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide?
The IUPAC name of (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide (CID 97095663) is (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide.
What is the SMILES notation for (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide?
The canonical SMILES for (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide is CC[C@@H](C)CS(=O)(=O)N(C)CC.
What is the InChIKey of (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide?
The InChIKey is VDBHARPAZSMHOM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-8(3)7-12(10,11)9(4)6-2/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide?
(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 97095663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).