N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide

C7H14N2O2S — CID 63687858

IUPACN-(2-cyanoethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCC#N
InChIInChI=1S/C7H14N2O2S/c1-7(2,3)12(10,11)9-6-4-5-8/h9H,4,6H2,1-3H3
InChIKeyKDNYVDLHUOHIFH-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.62
Rot. Bonds3

About N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide

N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide (PubChem CID 63687858) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-methylpropane-2-sulfonamide
PubChem CID63687858
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(2-cyanoethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCC#N
InChIInChI=1S/C7H14N2O2S/c1-7(2,3)12(10,11)9-6-4-5-8/h9H,4,6H2,1-3H3
InChIKeyKDNYVDLHUOHIFH-UHFFFAOYSA-N
XLogP0.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 13418378
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CID 17985986
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CID 20211700
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CID 20211701
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CID 21703069
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CID 22364465
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CID 22733296
CID 22733296

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide (CID 63687858) is N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide?
The InChIKey is KDNYVDLHUOHIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-7(2,3)12(10,11)9-6-4-5-8/h9H,4,6H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide?
N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63687858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).