(6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride

C10H15ClN6O3S2 — CID 70463771

IUPAC(6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride
SMILESCl.Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(N)C(=O)N2C1
InChIInChI=1S/C10H14N6O3S2.ClH/c1-15-9(12-13-14-15)21-4-10(8(18)19)2-16-6(17)5(11)7(16)20-3-10;/h5,7H,2-4,11H2,1H3,(H,18,19);1H/t5?,7-,10?;/m1./s1
InChIKeyVUIRCANSEBDSDV-JXSNFBPLSA-N
MW366.86 g/mol
LogP-0.96
Rot. Bonds4

About (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride

(6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride (PubChem CID 70463771) has the molecular formula C10H15ClN6O3S2 and a molecular weight of 366.86 g/mol. Its IUPAC name is (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride
PubChem CID70463771
Molecular FormulaC10H15ClN6O3S2
Molecular Weight366.86 g/mol
Exact Mass366.03
IUPAC Name(6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride
SMILESCl.Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(N)C(=O)N2C1
InChIInChI=1S/C10H14N6O3S2.ClH/c1-15-9(12-13-14-15)21-4-10(8(18)19)2-16-6(17)5(11)7(16)20-3-10;/h5,7H,2-4,11H2,1H3,(H,18,19);1H/t5?,7-,10?;/m1./s1
InChIKeyVUIRCANSEBDSDV-JXSNFBPLSA-N
XLogP-0.96
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride 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 (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride?
The IUPAC name of (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride (CID 70463771) is (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride?
The canonical SMILES for (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride is Cl.Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(N)C(=O)N2C1.
What is the InChIKey of (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride?
The InChIKey is VUIRCANSEBDSDV-JXSNFBPLSA-N. The full InChI is InChI=1S/C10H14N6O3S2.ClH/c1-15-9(12-13-14-15)21-4-10(8(18)19)2-16-6(17)5(11)7(16)20-3-10;/h5,7H,2-4,11H2,1H3,(H,18,19);1H/t5?,7-,10?;/m1./s1.
What are the key properties of (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride?
(6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70463771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).