N-tert-butyl-3-methylbutane-1-sulfonamide

C9H21NO2S — CID 63373513

IUPACN-tert-butyl-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)6-7-13(11,12)10-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyDYNLDYGELSYUDV-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds4

About N-tert-butyl-3-methylbutane-1-sulfonamide

N-tert-butyl-3-methylbutane-1-sulfonamide (PubChem CID 63373513) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-tert-butyl-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-methylbutane-1-sulfonamide
PubChem CID63373513
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-tert-butyl-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)6-7-13(11,12)10-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyDYNLDYGELSYUDV-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-methylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methylbutane-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-methylbutane-1-sulfonamide (CID 63373513) is N-tert-butyl-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methylbutane-1-sulfonamide?
The InChIKey is DYNLDYGELSYUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)6-7-13(11,12)10-9(3,4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-3-methylbutane-1-sulfonamide?
N-tert-butyl-3-methylbutane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63373513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).