4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide

C8H14N2O2S — CID 70334327

IUPAC4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNCCC1=CCC(S(N)(=O)=O)C=C1
InChIInChI=1S/C8H14N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-3,8H,4-6,9H2,(H2,10,11,12)
InChIKeyGENVGTVFNVLDEV-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.12
Rot. Bonds3

About 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide

4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 70334327) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide
PubChem CID70334327
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNCCC1=CCC(S(N)(=O)=O)C=C1
InChIInChI=1S/C8H14N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-3,8H,4-6,9H2,(H2,10,11,12)
InChIKeyGENVGTVFNVLDEV-UHFFFAOYSA-N
XLogP-0.12
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide (CID 70334327) is 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide is NCCC1=CCC(S(N)(=O)=O)C=C1.
What is the InChIKey of 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is GENVGTVFNVLDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-3,8H,4-6,9H2,(H2,10,11,12).
What are the key properties of 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide?
4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 202.28 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 70334327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).