N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline

C11H15N5S — CID 43702070

IUPACN-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
SMILESCSCCCNc1ccccc1-n1cnnn1
InChIInChI=1S/C11H15N5S/c1-17-8-4-7-12-10-5-2-3-6-11(10)16-9-13-14-15-16/h2-3,5-6,9,12H,4,7-8H2,1H3
InChIKeyULUWJSWLVIWJDP-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.83
Rot. Bonds6

About N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline

N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline (PubChem CID 43702070) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
PubChem CID43702070
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
SMILESCSCCCNc1ccccc1-n1cnnn1
InChIInChI=1S/C11H15N5S/c1-17-8-4-7-12-10-5-2-3-6-11(10)16-9-13-14-15-16/h2-3,5-6,9,12H,4,7-8H2,1H3
InChIKeyULUWJSWLVIWJDP-UHFFFAOYSA-N
XLogP1.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
N-(4-methylsulfanylbutyl)-2-(1,2,4-triazol-1-yl)aniline
CID 103087546
N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline
CID 28547630
1-(2-methylsulfanylphenyl)tetrazole
CID 12777466
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 61061859
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
2-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 63981409
2-fluoro-N-(3-methylsulfanylpropyl)aniline
CID 28616589
N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
CID 62135429
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
CID 146144127

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline (CID 43702070) is N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline is CSCCCNc1ccccc1-n1cnnn1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline?
The InChIKey is ULUWJSWLVIWJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-17-8-4-7-12-10-5-2-3-6-11(10)16-9-13-14-15-16/h2-3,5-6,9,12H,4,7-8H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline?
N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline has a molecular weight of 249.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43702070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).