6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide

C10H18N2O2S — CID 142784463

IUPAC6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC(C)(C)C1(S(N)(=O)=O)C=CC=CC1N
InChIInChI=1S/C10H18N2O2S/c1-9(2,3)10(15(12,13)14)7-5-4-6-8(10)11/h4-8H,11H2,1-3H3,(H2,12,13,14)
InChIKeyQEIWCIIYCONBEX-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.51
Rot. Bonds1

About 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide

6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 142784463) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID142784463
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC(C)(C)C1(S(N)(=O)=O)C=CC=CC1N
InChIInChI=1S/C10H18N2O2S/c1-9(2,3)10(15(12,13)14)7-5-4-6-8(10)11/h4-8H,11H2,1-3H3,(H2,12,13,14)
InChIKeyQEIWCIIYCONBEX-UHFFFAOYSA-N
XLogP0.51
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide (CID 142784463) is 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide is CC(C)(C)C1(S(N)(=O)=O)C=CC=CC1N.
What is the InChIKey of 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is QEIWCIIYCONBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-9(2,3)10(15(12,13)14)7-5-4-6-8(10)11/h4-8H,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide?
6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-tert-butylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 142784463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).