[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine

C11H15N5OS — CID 43530184

IUPAC[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine
SMILESCn1nnnc1SCCOc1cccc(CN)c1
InChIInChI=1S/C11H15N5OS/c1-16-11(13-14-15-16)18-6-5-17-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3
InChIKeyNZPWGFBMDVSKAX-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.84
Rot. Bonds6

About [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine

[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine (PubChem CID 43530184) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine
PubChem CID43530184
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine
SMILESCn1nnnc1SCCOc1cccc(CN)c1
InChIInChI=1S/C11H15N5OS/c1-16-11(13-14-15-16)18-6-5-17-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3
InChIKeyNZPWGFBMDVSKAX-UHFFFAOYSA-N
XLogP0.84
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(1-methyltetrazol-5-yl)sulfanylpropoxy]phenyl]methanamine
CID 43530185
2-[4-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]ethanamine
CID 43530181
1-(2,6-dimethylphenyl)-5-[2-(3-ethylphenoxy)ethylsulfanyl]tetrazole
CID 112771287
3-[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]prop-2-enoic acid
CID 76908825
3-[3-(1-methyltetrazol-5-yl)sulfanylpropoxy]benzoic acid
CID 63099785
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]-1-methyltetrazole
CID 47115035
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 46996074
[3-[2-(2-bromophenyl)sulfanylethoxy]phenyl]methanamine
CID 43529927
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882476
2-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]benzoic acid
CID 43532400
[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313641
[3-[2-[(3-methylphenyl)methylsulfanyl]ethoxy]phenyl]methanamine
CID 62770390

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine (CID 43530184) is [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine is Cn1nnnc1SCCOc1cccc(CN)c1.
What is the InChIKey of [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine?
The InChIKey is NZPWGFBMDVSKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16-11(13-14-15-16)18-6-5-17-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3.
What are the key properties of [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine?
[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine is sourced from PubChem (CID 43530184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).