N-butylpropane-2-sulfonamide

C7H17NO2S — CID 19431086

IUPACN-butylpropane-2-sulfonamide
SMILESCCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C7H17NO2S/c1-4-5-6-8-11(9,10)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyICVXELCKSMRSBE-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.11
Rot. Bonds5

About N-butylpropane-2-sulfonamide

N-butylpropane-2-sulfonamide (PubChem CID 19431086) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-butylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-butylpropane-2-sulfonamide
PubChem CID19431086
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-butylpropane-2-sulfonamide
SMILESCCCCNS(=O)(=O)C(C)C
InChIInChI=1S/C7H17NO2S/c1-4-5-6-8-11(9,10)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyICVXELCKSMRSBE-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butylpropane-2-sulfonamide?
The IUPAC name of N-butylpropane-2-sulfonamide (CID 19431086) is N-butylpropane-2-sulfonamide.
What is the SMILES notation for N-butylpropane-2-sulfonamide?
The canonical SMILES for N-butylpropane-2-sulfonamide is CCCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-butylpropane-2-sulfonamide?
The InChIKey is ICVXELCKSMRSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-5-6-8-11(9,10)7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-butylpropane-2-sulfonamide?
N-butylpropane-2-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpropane-2-sulfonamide is sourced from PubChem (CID 19431086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).