5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide

C9H14N2O2S — CID 150506891

IUPAC5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide
SMILESNC1(C2CC2)C=CC=C(S(N)(=O)=O)C1
InChIInChI=1S/C9H14N2O2S/c10-9(7-3-4-7)5-1-2-8(6-9)14(11,12)13/h1-2,5,7H,3-4,6,10H2,(H2,11,12,13)
InChIKeyHZAABXAOITWAHG-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.23
Rot. Bonds2

About 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide

5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 150506891) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID150506891
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide
SMILESNC1(C2CC2)C=CC=C(S(N)(=O)=O)C1
InChIInChI=1S/C9H14N2O2S/c10-9(7-3-4-7)5-1-2-8(6-9)14(11,12)13/h1-2,5,7H,3-4,6,10H2,(H2,11,12,13)
InChIKeyHZAABXAOITWAHG-UHFFFAOYSA-N
XLogP0.23
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide (CID 150506891) is 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide is NC1(C2CC2)C=CC=C(S(N)(=O)=O)C1.
What is the InChIKey of 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is HZAABXAOITWAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-9(7-3-4-7)5-1-2-8(6-9)14(11,12)13/h1-2,5,7H,3-4,6,10H2,(H2,11,12,13).
What are the key properties of 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide?
5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-cyclopropylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 150506891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).