N-tert-butyl-4-hydroxybutane-2-sulfonamide

C8H19NO3S — CID 176805071

IUPACN-tert-butyl-4-hydroxybutane-2-sulfonamide
SMILESCC(CCO)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H19NO3S/c1-7(5-6-10)13(11,12)9-8(2,3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyICJSWUSCLKCZCJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.48
Rot. Bonds4

About N-tert-butyl-4-hydroxybutane-2-sulfonamide

N-tert-butyl-4-hydroxybutane-2-sulfonamide (PubChem CID 176805071) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-tert-butyl-4-hydroxybutane-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-hydroxybutane-2-sulfonamide
PubChem CID176805071
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-tert-butyl-4-hydroxybutane-2-sulfonamide
SMILESCC(CCO)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H19NO3S/c1-7(5-6-10)13(11,12)9-8(2,3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyICJSWUSCLKCZCJ-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-hydroxybutane-2-sulfonamide?
The IUPAC name of N-tert-butyl-4-hydroxybutane-2-sulfonamide (CID 176805071) is N-tert-butyl-4-hydroxybutane-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-hydroxybutane-2-sulfonamide?
The canonical SMILES for N-tert-butyl-4-hydroxybutane-2-sulfonamide is CC(CCO)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-hydroxybutane-2-sulfonamide?
The InChIKey is ICJSWUSCLKCZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(5-6-10)13(11,12)9-8(2,3)4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-4-hydroxybutane-2-sulfonamide?
N-tert-butyl-4-hydroxybutane-2-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-hydroxybutane-2-sulfonamide is sourced from PubChem (CID 176805071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).