1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C12H17N5S — CID 107049663

IUPAC1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCc1ccc(SCC(N)Cc2nnn(C)n2)cc1
InChIInChI=1S/C12H17N5S/c1-9-3-5-11(6-4-9)18-8-10(13)7-12-14-16-17(2)15-12/h3-6,10H,7-8,13H2,1-2H3
InChIKeyYBPNBQMJQFSGAW-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.18
Rot. Bonds5

About 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107049663) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107049663
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCc1ccc(SCC(N)Cc2nnn(C)n2)cc1
InChIInChI=1S/C12H17N5S/c1-9-3-5-11(6-4-9)18-8-10(13)7-12-14-16-17(2)15-12/h3-6,10H,7-8,13H2,1-2H3
InChIKeyYBPNBQMJQFSGAW-UHFFFAOYSA-N
XLogP1.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049641
1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79761391
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
CID 107049422
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049673
2-[(4-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045075
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066767
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107049663) is 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine is Cc1ccc(SCC(N)Cc2nnn(C)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is YBPNBQMJQFSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-9-3-5-11(6-4-9)18-8-10(13)7-12-14-16-17(2)15-12/h3-6,10H,7-8,13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107049663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).