N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine

C13H19N5S — CID 64621193

IUPACN-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
SMILESCCNC(CSc1nnnn1C)c1ccc(C)cc1
InChIInChI=1S/C13H19N5S/c1-4-14-12(11-7-5-10(2)6-8-11)9-19-13-15-16-17-18(13)3/h5-8,12,14H,4,9H2,1-3H3
InChIKeyUFPCQZAFAVDZDA-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.96
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine

N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine (PubChem CID 64621193) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
PubChem CID64621193
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
SMILESCCNC(CSc1nnnn1C)c1ccc(C)cc1
InChIInChI=1S/C13H19N5S/c1-4-14-12(11-7-5-10(2)6-8-11)9-19-13-15-16-17-18(13)3/h5-8,12,14H,4,9H2,1-3H3
InChIKeyUFPCQZAFAVDZDA-UHFFFAOYSA-N
XLogP1.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619439
N-[1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64620598
N-[1-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621766
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619818
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
N-[1-(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621771
N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64620409
2-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 55016371
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(4-methylphenyl)ethanamine
CID 106927853
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 114656151
N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 64621188
1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 104755169

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine (CID 64621193) is N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine is CCNC(CSc1nnnn1C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The InChIKey is UFPCQZAFAVDZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-4-14-12(11-7-5-10(2)6-8-11)9-19-13-15-16-17-18(13)3/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine has a molecular weight of 277.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine is sourced from PubChem (CID 64621193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).