N-butan-2-yl-3-methylbutane-1-sulfonamide

C9H21NO2S — CID 63373512

IUPACN-butan-2-yl-3-methylbutane-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)CCC(C)C
InChIInChI=1S/C9H21NO2S/c1-5-9(4)10-13(11,12)7-6-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyYPSFNKRQQPVWTE-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds6

About N-butan-2-yl-3-methylbutane-1-sulfonamide

N-butan-2-yl-3-methylbutane-1-sulfonamide (PubChem CID 63373512) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-butan-2-yl-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-3-methylbutane-1-sulfonamide
PubChem CID63373512
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-butan-2-yl-3-methylbutane-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)CCC(C)C
InChIInChI=1S/C9H21NO2S/c1-5-9(4)10-13(11,12)7-6-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyYPSFNKRQQPVWTE-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-butan-2-yl-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

Related Compounds

N-butan-2-ylethanesulfonamide
CID 5091177
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid
CID 63856585
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide
CID 114419155
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
3-(3-methylbutylsulfonylamino)pentanethioamide
CID 63858030
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465
1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
CID 83092799
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methylbutane-1-sulfonamide?
The IUPAC name of N-butan-2-yl-3-methylbutane-1-sulfonamide (CID 63373512) is N-butan-2-yl-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-butan-2-yl-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-butan-2-yl-3-methylbutane-1-sulfonamide is CCC(C)NS(=O)(=O)CCC(C)C.
What is the InChIKey of N-butan-2-yl-3-methylbutane-1-sulfonamide?
The InChIKey is YPSFNKRQQPVWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-9(4)10-13(11,12)7-6-8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of N-butan-2-yl-3-methylbutane-1-sulfonamide?
N-butan-2-yl-3-methylbutane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63373512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).