2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide

C8H17NO2S — CID 64592120

IUPAC2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCNS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C8H17NO2S/c1-5-6-9-12(10,11)7-8(2,3)4/h5,9H,1,6-7H2,2-4H3
InChIKeyRLSAVPAQVQEUSX-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.14
Rot. Bonds4

About 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide

2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide (PubChem CID 64592120) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide
PubChem CID64592120
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCNS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C8H17NO2S/c1-5-6-9-12(10,11)7-8(2,3)4/h5,9H,1,6-7H2,2-4H3
InChIKeyRLSAVPAQVQEUSX-UHFFFAOYSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide (CID 64592120) is 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide is C=CCNS(=O)(=O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide?
The InChIKey is RLSAVPAQVQEUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-6-9-12(10,11)7-8(2,3)4/h5,9H,1,6-7H2,2-4H3.
What are the key properties of 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide?
2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-prop-2-enylpropane-1-sulfonamide is sourced from PubChem (CID 64592120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).