5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide

C10H18N2O2S — CID 151078401

IUPAC5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide
SMILESCCCCC1(S(N)(=O)=O)C=CC=C(N)C1
InChIInChI=1S/C10H18N2O2S/c1-2-3-6-10(15(12,13)14)7-4-5-9(11)8-10/h4-5,7H,2-3,6,8,11H2,1H3,(H2,12,13,14)
InChIKeyMJPIJFDZYFPIFC-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.01
Rot. Bonds4

About 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide

5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 151078401) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID151078401
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide
SMILESCCCCC1(S(N)(=O)=O)C=CC=C(N)C1
InChIInChI=1S/C10H18N2O2S/c1-2-3-6-10(15(12,13)14)7-4-5-9(11)8-10/h4-5,7H,2-3,6,8,11H2,1H3,(H2,12,13,14)
InChIKeyMJPIJFDZYFPIFC-UHFFFAOYSA-N
XLogP1.01
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide (CID 151078401) is 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide is CCCCC1(S(N)(=O)=O)C=CC=C(N)C1.
What is the InChIKey of 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is MJPIJFDZYFPIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-3-6-10(15(12,13)14)7-4-5-9(11)8-10/h4-5,7H,2-3,6,8,11H2,1H3,(H2,12,13,14).
What are the key properties of 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide?
5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 151078401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).