N-(3-methylbutyl)propane-1-sulfonamide

C8H19NO2S — CID 58395388

IUPACN-(3-methylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(C)C
InChIInChI=1S/C8H19NO2S/c1-4-7-12(10,11)9-6-5-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyXAOOPKQEGPSFRW-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds6

About N-(3-methylbutyl)propane-1-sulfonamide

N-(3-methylbutyl)propane-1-sulfonamide (PubChem CID 58395388) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(3-methylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)propane-1-sulfonamide
PubChem CID58395388
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(3-methylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(C)C
InChIInChI=1S/C8H19NO2S/c1-4-7-12(10,11)9-6-5-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyXAOOPKQEGPSFRW-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)propane-1-sulfonamide?
The IUPAC name of N-(3-methylbutyl)propane-1-sulfonamide (CID 58395388) is N-(3-methylbutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)propane-1-sulfonamide?
The InChIKey is XAOOPKQEGPSFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-7-12(10,11)9-6-5-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(3-methylbutyl)propane-1-sulfonamide?
N-(3-methylbutyl)propane-1-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 58395388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).