N-(3-methylbutyl)butane-2-sulfonamide

C9H21NO2S — CID 58395511

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

About N-(3-methylbutyl)butane-2-sulfonamide

N-(3-methylbutyl)butane-2-sulfonamide (PubChem CID 58395511) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(3-methylbutyl)butane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)butane-2-sulfonamide
PubChem CID58395511
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(3-methylbutyl)butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NCCC(C)C
InChIInChI=1S/C9H21NO2S/c1-5-9(4)13(11,12)10-7-6-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyRVVBTIRUHVUVDV-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)butane-2-sulfonamide?
The IUPAC name of N-(3-methylbutyl)butane-2-sulfonamide (CID 58395511) is N-(3-methylbutyl)butane-2-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)butane-2-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)butane-2-sulfonamide is CCC(C)S(=O)(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)butane-2-sulfonamide?
The InChIKey is RVVBTIRUHVUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-9(4)13(11,12)10-7-6-8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(3-methylbutyl)butane-2-sulfonamide?
N-(3-methylbutyl)butane-2-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-(3-methylbutyl)butane-2-sulfonamide is sourced from PubChem (CID 58395511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).