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

C7H13NO2S — CID 63687708

IUPAC2-methyl-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H13NO2S/c1-5-6-8-11(9,10)7(2,3)4/h1,8H,6H2,2-4H3
InChIKeyYIGWIICZZREHIS-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.34
Rot. Bonds2

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

2-methyl-N-prop-2-ynylpropane-2-sulfonamide (PubChem CID 63687708) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynylpropane-2-sulfonamide
PubChem CID63687708
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-methyl-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H13NO2S/c1-5-6-8-11(9,10)7(2,3)4/h1,8H,6H2,2-4H3
InChIKeyYIGWIICZZREHIS-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(prop-2-yn-1-yl)ethane-1-sulfonamide
CID 54208581
1-ethynyl-N-methylcyclopropane-1-sulfonamide
CID 155821776
1,3-difluoro-2-(fluoromethyl)-N-prop-2-ynylpropane-2-sulfonamide
CID 156771288
N-(but-3-yn-1-yl)propane-1-sulfonamide
CID 56765735
N-(but-3-yn-1-yl)propane-2-sulfonamide
CID 56765740
1-Amino-2-methylpropane-2-sulfonamide
CID 17985986
Ethyl-tert-butyl-sulfonamide
CID 21703069
2-methyl-N-propylpropane-2-sulfonamide
CID 22364465
N-hepta-2,4,6-triynylpropane-2-sulfonamide
CID 59140098
N-(prop-2-ynyl)propane-1-sulfonamide
CID 61342476
N-prop-2-ynylbutane-1-sulfonamide
CID 61342656
2-methyl-N-prop-2-ynylpropane-1-sulfonamide
CID 62734252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-ynylpropane-2-sulfonamide?
The IUPAC name of 2-methyl-N-prop-2-ynylpropane-2-sulfonamide (CID 63687708) is 2-methyl-N-prop-2-ynylpropane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynylpropane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-prop-2-ynylpropane-2-sulfonamide is C#CCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-prop-2-ynylpropane-2-sulfonamide?
The InChIKey is YIGWIICZZREHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5-6-8-11(9,10)7(2,3)4/h1,8H,6H2,2-4H3.
What are the key properties of 2-methyl-N-prop-2-ynylpropane-2-sulfonamide?
2-methyl-N-prop-2-ynylpropane-2-sulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.34, 2 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-2-sulfonamide is sourced from PubChem (CID 63687708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).