4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride

C7H14ClN3O2S — CID 175046040

IUPAC4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride
SMILESCl.NCC1(N)C=CC(S(N)(=O)=O)=CC1
InChIInChI=1S/C7H13N3O2S.ClH/c8-5-7(9)3-1-6(2-4-7)13(10,11)12;/h1-3H,4-5,8-9H2,(H2,10,11,12);1H
InChIKeyNIEJNFPVLNZFHF-UHFFFAOYSA-N
MW239.73 g/mol
LogP-0.80
Rot. Bonds2

About 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride

4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride (PubChem CID 175046040) has the molecular formula C7H14ClN3O2S and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride
PubChem CID175046040
Molecular FormulaC7H14ClN3O2S
Molecular Weight239.73 g/mol
Exact Mass239.05
IUPAC Name4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride
SMILESCl.NCC1(N)C=CC(S(N)(=O)=O)=CC1
InChIInChI=1S/C7H13N3O2S.ClH/c8-5-7(9)3-1-6(2-4-7)13(10,11)12;/h1-3H,4-5,8-9H2,(H2,10,11,12);1H
InChIKeyNIEJNFPVLNZFHF-UHFFFAOYSA-N
XLogP-0.80
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride?
The IUPAC name of 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride (CID 175046040) is 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride is Cl.NCC1(N)C=CC(S(N)(=O)=O)=CC1.
What is the InChIKey of 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride?
The InChIKey is NIEJNFPVLNZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S.ClH/c8-5-7(9)3-1-6(2-4-7)13(10,11)12;/h1-3H,4-5,8-9H2,(H2,10,11,12);1H.
What are the key properties of 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride?
4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride has a molecular weight of 239.73 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 175046040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).