N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine

C14H21N5S — CID 64620409

IUPACN-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1nnnn1C)c1ccccc1C
InChIInChI=1S/C14H21N5S/c1-4-9-15-13(12-8-6-5-7-11(12)2)10-20-14-16-17-18-19(14)3/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyLSHATELSOMLGGP-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.35
Rot. Bonds7

About N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine

N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine (PubChem CID 64620409) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
PubChem CID64620409
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1nnnn1C)c1ccccc1C
InChIInChI=1S/C14H21N5S/c1-4-9-15-13(12-8-6-5-7-11(12)2)10-20-14-16-17-18-19(14)3/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyLSHATELSOMLGGP-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621766
N-[1-(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621771
N-[1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64620598
N-[1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethyl]propan-1-amine
CID 64649429
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619818
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol
CID 64898439
N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64621193
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619439
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine (CID 64620409) is N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine is CCCNC(CSc1nnnn1C)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine?
The InChIKey is LSHATELSOMLGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-9-15-13(12-8-6-5-7-11(12)2)10-20-14-16-17-18-19(14)3/h5-8,13,15H,4,9-10H2,1-3H3.
What are the key properties of N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine?
N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 64620409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).