N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide

C10H15NO2S — CID 70913584

IUPACN-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC1=C(S(=O)(=O)NC2CC2)C=CCC1
InChIInChI=1S/C10H15NO2S/c1-8-4-2-3-5-10(8)14(12,13)11-9-6-7-9/h3,5,9,11H,2,4,6-7H2,1H3
InChIKeyLLPPQIUWQTUZFT-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.69
Rot. Bonds3

About N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide

N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 70913584) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID70913584
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC1=C(S(=O)(=O)NC2CC2)C=CCC1
InChIInChI=1S/C10H15NO2S/c1-8-4-2-3-5-10(8)14(12,13)11-9-6-7-9/h3,5,9,11H,2,4,6-7H2,1H3
InChIKeyLLPPQIUWQTUZFT-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide (CID 70913584) is N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide is CC1=C(S(=O)(=O)NC2CC2)C=CCC1.
What is the InChIKey of N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is LLPPQIUWQTUZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8-4-2-3-5-10(8)14(12,13)11-9-6-7-9/h3,5,9,11H,2,4,6-7H2,1H3.
What are the key properties of N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide?
N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 70913584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).