N-propylbutane-2-sulfonamide

C7H17NO2S — CID 57021990

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

About N-propylbutane-2-sulfonamide

N-propylbutane-2-sulfonamide (PubChem CID 57021990) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-propylbutane-2-sulfonamide.

Molecular Properties

Compound NameN-propylbutane-2-sulfonamide
PubChem CID57021990
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-propylbutane-2-sulfonamide
SMILESCCCNS(=O)(=O)C(C)CC
InChIInChI=1S/C7H17NO2S/c1-4-6-8-11(9,10)7(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyIQIVLCSZWJSUHO-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

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Frequently Asked Questions

What is the IUPAC name of N-propylbutane-2-sulfonamide?
The IUPAC name of N-propylbutane-2-sulfonamide (CID 57021990) is N-propylbutane-2-sulfonamide.
What is the SMILES notation for N-propylbutane-2-sulfonamide?
The canonical SMILES for N-propylbutane-2-sulfonamide is CCCNS(=O)(=O)C(C)CC.
What is the InChIKey of N-propylbutane-2-sulfonamide?
The InChIKey is IQIVLCSZWJSUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-6-8-11(9,10)7(3)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of N-propylbutane-2-sulfonamide?
N-propylbutane-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-propylbutane-2-sulfonamide is sourced from PubChem (CID 57021990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).