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

C15H23N5S — CID 107049689

IUPAC1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1C)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5S/c1-4-9-16-13(10-15-17-19-20(3)18-15)11-21-14-8-6-5-7-12(14)2/h5-8,13,16H,4,9-11H2,1-3H3
InChIKeyIXCDBYQQQRWNQN-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.22
Rot. Bonds8

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

1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine (PubChem CID 107049689) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
PubChem CID107049689
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1C)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5S/c1-4-9-16-13(10-15-17-19-20(3)18-15)11-21-14-8-6-5-7-12(14)2/h5-8,13,16H,4,9-11H2,1-3H3
InChIKeyIXCDBYQQQRWNQN-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
CID 107048305
N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
CID 107049422
1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 83175059
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 107065461
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
CID 79185729
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051286

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine (CID 107049689) is 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine is CCCNC(CSc1ccccc1C)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
The InChIKey is IXCDBYQQQRWNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-4-9-16-13(10-15-17-19-20(3)18-15)11-21-14-8-6-5-7-12(14)2/h5-8,13,16H,4,9-11H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine has a molecular weight of 305.45 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 107049689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).