N-tert-butylbutane-1-sulfonamide

C8H19NO2S — CID 19681695

IUPACN-tert-butylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H19NO2S/c1-5-6-7-12(10,11)9-8(2,3)4/h9H,5-7H2,1-4H3
InChIKeyLHLAOCCGXPFNSP-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.50
Rot. Bonds4

About N-tert-butylbutane-1-sulfonamide

N-tert-butylbutane-1-sulfonamide (PubChem CID 19681695) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-tert-butylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylbutane-1-sulfonamide
PubChem CID19681695
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-tert-butylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H19NO2S/c1-5-6-7-12(10,11)9-8(2,3)4/h9H,5-7H2,1-4H3
InChIKeyLHLAOCCGXPFNSP-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylbutane-1-sulfonamide?
The IUPAC name of N-tert-butylbutane-1-sulfonamide (CID 19681695) is N-tert-butylbutane-1-sulfonamide.
What is the SMILES notation for N-tert-butylbutane-1-sulfonamide?
The canonical SMILES for N-tert-butylbutane-1-sulfonamide is CCCCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylbutane-1-sulfonamide?
The InChIKey is LHLAOCCGXPFNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-6-7-12(10,11)9-8(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of N-tert-butylbutane-1-sulfonamide?
N-tert-butylbutane-1-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbutane-1-sulfonamide is sourced from PubChem (CID 19681695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).