(NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine

C16H15N5OS — CID 10336443

IUPAC(NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine
SMILESCC(/C=N/O)(Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N5OS/c1-16(12-17-22,13-8-4-2-5-9-13)23-15-18-19-20-21(15)14-10-6-3-7-11-14/h2-12,22H,1H3/b17-12+
InChIKeySBXRCPWEQHPQER-SFQUDFHCSA-N
MW325.40 g/mol
LogP3.13
Rot. Bonds5

About (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine

(NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine (PubChem CID 10336443) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine
PubChem CID10336443
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name(NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine
SMILESCC(/C=N/O)(Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N5OS/c1-16(12-17-22,13-8-4-2-5-9-13)23-15-18-19-20-21(15)14-10-6-3-7-11-14/h2-12,22H,1H3/b17-12+
InChIKeySBXRCPWEQHPQER-SFQUDFHCSA-N
XLogP3.13
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

2,2-difluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 81218371
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
carbonic acid;(1-phenyltetrazol-5-yl)sulfanylmethanethioic S-acid
CID 159162962
(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
CID 19435783
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 50929447
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
1-(3-tert-butylphenyl)-5-methylsulfanyltetrazole
CID 121300553
3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
CID 114370230
N-tert-butyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine
CID 103068309
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine (CID 10336443) is (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine is CC(/C=N/O)(Sc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine?
The InChIKey is SBXRCPWEQHPQER-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-16(12-17-22,13-8-4-2-5-9-13)23-15-18-19-20-21(15)14-10-6-3-7-11-14/h2-12,22H,1H3/b17-12+.
What are the key properties of (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine?
(NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine has a molecular weight of 325.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropylidene]hydroxylamine is sourced from PubChem (CID 10336443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).