N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine

C13H19N5S — CID 64621188

IUPACN-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)Sc1nnnn1C
InChIInChI=1S/C13H19N5S/c1-9-5-7-11(8-6-9)12(14-3)10(2)19-13-15-16-17-18(13)4/h5-8,10,12,14H,1-4H3
InChIKeyJKRDGULPDQDWLT-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine

N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine (PubChem CID 64621188) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
PubChem CID64621188
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)Sc1nnnn1C
InChIInChI=1S/C13H19N5S/c1-9-5-7-11(8-6-9)12(14-3)10(2)19-13-15-16-17-18(13)4/h5-8,10,12,14H,1-4H3
InChIKeyJKRDGULPDQDWLT-UHFFFAOYSA-N
XLogP1.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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
2-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 55016371
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 107783907
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 64650448
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586
N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64621193
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 106927981
N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 64647840
2-(2,5-dichlorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64621434
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638
3-(1-methyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64620207

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine (CID 64621188) is N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine is CNC(c1ccc(C)cc1)C(C)Sc1nnnn1C.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine?
The InChIKey is JKRDGULPDQDWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9-5-7-11(8-6-9)12(14-3)10(2)19-13-15-16-17-18(13)4/h5-8,10,12,14H,1-4H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine?
N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine has a molecular weight of 277.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 64621188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).