N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine

C12H17N5S — CID 107049422

IUPACN-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C12H17N5S/c1-13-10(8-12-14-16-17(2)15-12)9-18-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyKNWOYUABPNXBJG-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.13
Rot. Bonds6

About N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine

N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine (PubChem CID 107049422) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
PubChem CID107049422
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C12H17N5S/c1-13-10(8-12-14-16-17(2)15-12)9-18-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyKNWOYUABPNXBJG-UHFFFAOYSA-N
XLogP1.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049673
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107049689
1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049663
N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824156
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107048734
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050770
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine?
The IUPAC name of N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine (CID 107049422) is N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine is CNC(CSc1ccccc1)Cc1nnn(C)n1.
What is the InChIKey of N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine?
The InChIKey is KNWOYUABPNXBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-13-10(8-12-14-16-17(2)15-12)9-18-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine?
N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 107049422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).