N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C13H19N5S — CID 107049673

IUPACN-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1nnn(C)n1
InChIInChI=1S/C13H19N5S/c1-10-5-4-6-12(7-10)19-9-11(14-2)8-13-15-17-18(3)16-13/h4-7,11,14H,8-9H2,1-3H3
InChIKeyALCAVVMCBDMEGT-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.44
Rot. Bonds6

About N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine

N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107049673) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107049673
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1nnn(C)n1
InChIInChI=1S/C13H19N5S/c1-10-5-4-6-12(7-10)19-9-11(14-2)8-13-15-17-18(3)16-13/h4-7,11,14H,8-9H2,1-3H3
InChIKeyALCAVVMCBDMEGT-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
CID 107049422
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66087577
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107049673) is N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CNC(CSc1cccc(C)c1)Cc1nnn(C)n1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is ALCAVVMCBDMEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-10-5-4-6-12(7-10)19-9-11(14-2)8-13-15-17-18(3)16-13/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 277.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107049673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).