N-prop-2-ynylpropane-1-sulfonamide

C6H11NO2S — CID 61342476

IUPACN-prop-2-ynylpropane-1-sulfonamide
SMILESC#CCNS(=O)(=O)CCC
InChIInChI=1S/C6H11NO2S/c1-3-5-7-10(8,9)6-4-2/h1,7H,4-6H2,2H3
InChIKeyKJVKERBQRYFSAS-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.05
Rot. Bonds4

About N-prop-2-ynylpropane-1-sulfonamide

N-prop-2-ynylpropane-1-sulfonamide (PubChem CID 61342476) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-prop-2-ynylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-prop-2-ynylpropane-1-sulfonamide
PubChem CID61342476
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-prop-2-ynylpropane-1-sulfonamide
SMILESC#CCNS(=O)(=O)CCC
InChIInChI=1S/C6H11NO2S/c1-3-5-7-10(8,9)6-4-2/h1,7H,4-6H2,2H3
InChIKeyKJVKERBQRYFSAS-UHFFFAOYSA-N
XLogP-0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylpropane-1-sulfonamide?
The IUPAC name of N-prop-2-ynylpropane-1-sulfonamide (CID 61342476) is N-prop-2-ynylpropane-1-sulfonamide.
What is the SMILES notation for N-prop-2-ynylpropane-1-sulfonamide?
The canonical SMILES for N-prop-2-ynylpropane-1-sulfonamide is C#CCNS(=O)(=O)CCC.
What is the InChIKey of N-prop-2-ynylpropane-1-sulfonamide?
The InChIKey is KJVKERBQRYFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-3-5-7-10(8,9)6-4-2/h1,7H,4-6H2,2H3.
What are the key properties of N-prop-2-ynylpropane-1-sulfonamide?
N-prop-2-ynylpropane-1-sulfonamide has a molecular weight of 161.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylpropane-1-sulfonamide is sourced from PubChem (CID 61342476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).