N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

C17H19N5S — CID 26625051

IUPACN-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCSc1ccc(CN(C)Cc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C17H19N5S/c1-21(12-14-8-10-16(23-2)11-9-14)13-17-18-19-20-22(17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyXRKAFONGHVSPDP-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.02
Rot. Bonds6

About N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (PubChem CID 26625051) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
PubChem CID26625051
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCSc1ccc(CN(C)Cc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C17H19N5S/c1-21(12-14-8-10-16(23-2)11-9-14)13-17-18-19-20-22(17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyXRKAFONGHVSPDP-UHFFFAOYSA-N
XLogP3.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088026
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088323
N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857210
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclopentan-1-amine
CID 98775328
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 18087749
N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine
CID 75435403

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (CID 26625051) is N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is CSc1ccc(CN(C)Cc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The InChIKey is XRKAFONGHVSPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-21(12-14-8-10-16(23-2)11-9-14)13-17-18-19-20-22(17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine has a molecular weight of 325.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 26625051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).