N,N,3-trimethylbutane-1-sulfonamide

C7H17NO2S — CID 20712477

IUPACN,N,3-trimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)C
InChIInChI=1S/C7H17NO2S/c1-7(2)5-6-11(9,10)8(3)4/h7H,5-6H2,1-4H3
InChIKeyZCTUUHNUABHIOG-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.92
Rot. Bonds4

About N,N,3-trimethylbutane-1-sulfonamide

N,N,3-trimethylbutane-1-sulfonamide (PubChem CID 20712477) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N,N,3-trimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN,N,3-trimethylbutane-1-sulfonamide
PubChem CID20712477
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN,N,3-trimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)C
InChIInChI=1S/C7H17NO2S/c1-7(2)5-6-11(9,10)8(3)4/h7H,5-6H2,1-4H3
InChIKeyZCTUUHNUABHIOG-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethylpropane-1-sulfonamide
CID 12503848
N-methyl-N-(2-methylpropyl)propane-2-sulfonamide
CID 18343503
Propane-2-sulphonic acid dimethyl amide
CID 18723394
Propane-1-sulfonic acid dimethylamide
CID 18738529
N,N-dimethylbutane-1-sulfonamide
CID 19684365
N,N-dimethylbutane-2-sulfonamide
CID 20813351
N,N,2-trimethylbutane-2-sulfonamide
CID 57676275
N,N,2,2-tetramethylpropane-1-sulfonamide
CID 58664572
N-tert-butyl-N,2-dimethylpropane-1-sulfonamide
CID 58815138
N-methyl-N-(2-methylpropyl)ethanesulfonamide
CID 59832909
N-methyl-N-(3-methylbutyl)propane-2-sulfonamide
CID 61355536
N-tert-butyl-N-methylethanesulfonamide
CID 86069933

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylbutane-1-sulfonamide?
The IUPAC name of N,N,3-trimethylbutane-1-sulfonamide (CID 20712477) is N,N,3-trimethylbutane-1-sulfonamide.
What is the SMILES notation for N,N,3-trimethylbutane-1-sulfonamide?
The canonical SMILES for N,N,3-trimethylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)C.
What is the InChIKey of N,N,3-trimethylbutane-1-sulfonamide?
The InChIKey is ZCTUUHNUABHIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2)5-6-11(9,10)8(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N,3-trimethylbutane-1-sulfonamide?
N,N,3-trimethylbutane-1-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylbutane-1-sulfonamide is sourced from PubChem (CID 20712477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).