N-tert-butyl-N,2-dimethylpropane-1-sulfonamide

C9H21NO2S — CID 58815138

IUPACN-tert-butyl-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)7-13(11,12)10(6)9(3,4)5/h8H,7H2,1-6H3
InChIKeySDMMTTJZGIZJOL-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.70
Rot. Bonds3

About N-tert-butyl-N,2-dimethylpropane-1-sulfonamide

N-tert-butyl-N,2-dimethylpropane-1-sulfonamide (PubChem CID 58815138) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-tert-butyl-N,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N,2-dimethylpropane-1-sulfonamide
PubChem CID58815138
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-tert-butyl-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)7-13(11,12)10(6)9(3,4)5/h8H,7H2,1-6H3
InChIKeySDMMTTJZGIZJOL-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-N,2-dimethylpropane-1-sulfonamide (CID 58815138) is N-tert-butyl-N,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-N,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-N,2-dimethylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,2-dimethylpropane-1-sulfonamide?
The InChIKey is SDMMTTJZGIZJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)7-13(11,12)10(6)9(3,4)5/h8H,7H2,1-6H3.
What are the key properties of N-tert-butyl-N,2-dimethylpropane-1-sulfonamide?
N-tert-butyl-N,2-dimethylpropane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 58815138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).