2-methyl-N-prop-2-ynylpropane-1-sulfonamide

C7H13NO2S — CID 62734252

IUPAC2-methyl-N-prop-2-ynylpropane-1-sulfonamide
SMILESC#CCNS(=O)(=O)CC(C)C
InChIInChI=1S/C7H13NO2S/c1-4-5-8-11(9,10)6-7(2)3/h1,7-8H,5-6H2,2-3H3
InChIKeyFMEDCKUJSHSYQD-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.19
Rot. Bonds4

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

2-methyl-N-prop-2-ynylpropane-1-sulfonamide (PubChem CID 62734252) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynylpropane-1-sulfonamide
PubChem CID62734252
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-methyl-N-prop-2-ynylpropane-1-sulfonamide
SMILESC#CCNS(=O)(=O)CC(C)C
InChIInChI=1S/C7H13NO2S/c1-4-5-8-11(9,10)6-7(2)3/h1,7-8H,5-6H2,2-3H3
InChIKeyFMEDCKUJSHSYQD-UHFFFAOYSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.19
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 2-methyl-N-prop-2-ynylpropane-1-sulfonamide?
The IUPAC name of 2-methyl-N-prop-2-ynylpropane-1-sulfonamide (CID 62734252) is 2-methyl-N-prop-2-ynylpropane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynylpropane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-prop-2-ynylpropane-1-sulfonamide is C#CCNS(=O)(=O)CC(C)C.
What is the InChIKey of 2-methyl-N-prop-2-ynylpropane-1-sulfonamide?
The InChIKey is FMEDCKUJSHSYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-5-8-11(9,10)6-7(2)3/h1,7-8H,5-6H2,2-3H3.
What are the key properties of 2-methyl-N-prop-2-ynylpropane-1-sulfonamide?
2-methyl-N-prop-2-ynylpropane-1-sulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynylpropane-1-sulfonamide is sourced from PubChem (CID 62734252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).