N-tert-butylpropane-1-sulfonamide

C7H17NO2S — CID 57176664

IUPACN-tert-butylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-5-6-11(9,10)8-7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyXAXMEKSZWUDERG-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.11
Rot. Bonds3

About N-tert-butylpropane-1-sulfonamide

N-tert-butylpropane-1-sulfonamide (PubChem CID 57176664) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-tert-butylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylpropane-1-sulfonamide
PubChem CID57176664
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-tert-butylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-5-6-11(9,10)8-7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyXAXMEKSZWUDERG-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpropane-1-sulfonamide?
The IUPAC name of N-tert-butylpropane-1-sulfonamide (CID 57176664) is N-tert-butylpropane-1-sulfonamide.
What is the SMILES notation for N-tert-butylpropane-1-sulfonamide?
The canonical SMILES for N-tert-butylpropane-1-sulfonamide is CCCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylpropane-1-sulfonamide?
The InChIKey is XAXMEKSZWUDERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-6-11(9,10)8-7(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of N-tert-butylpropane-1-sulfonamide?
N-tert-butylpropane-1-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpropane-1-sulfonamide is sourced from PubChem (CID 57176664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).