2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine

C15H21N5S — CID 64650510

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(CSc1nnnn1C1CC1)c1ccc(C)cc1C
InChIInChI=1S/C15H21N5S/c1-10-4-7-13(11(2)8-10)14(16-3)9-21-15-17-18-19-20(15)12-5-6-12/h4,7-8,12,14,16H,5-6,9H2,1-3H3
InChIKeyZBVUHVOLEAPGKJ-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.68
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine (PubChem CID 64650510) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine
PubChem CID64650510
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(CSc1nnnn1C1CC1)c1ccc(C)cc1C
InChIInChI=1S/C15H21N5S/c1-10-4-7-13(11(2)8-10)14(16-3)9-21-15-17-18-19-20(15)12-5-6-12/h4,7-8,12,14,16H,5-6,9H2,1-3H3
InChIKeyZBVUHVOLEAPGKJ-UHFFFAOYSA-N
XLogP2.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621771
1-(2,4-dimethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628158
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 27096227
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 5116710
1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
CID 64649342
1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926366
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 106928061
N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619439
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64650320
1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylethanamine
CID 64626032
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)ethanone
CID 1452203

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine (CID 64650510) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine is CNC(CSc1nnnn1C1CC1)c1ccc(C)cc1C.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is ZBVUHVOLEAPGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-4-7-13(11(2)8-10)14(16-3)9-21-15-17-18-19-20(15)12-5-6-12/h4,7-8,12,14,16H,5-6,9H2,1-3H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 303.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 64650510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).