2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine

C16H22N6S — CID 125114208

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
SMILESCC(C)n1cc(CNCCSc2nnnn2C)c2ccccc21
InChIInChI=1S/C16H22N6S/c1-12(2)22-11-13(14-6-4-5-7-15(14)22)10-17-8-9-23-16-18-19-20-21(16)3/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyAQFNTAZZNGJPSQ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.63
Rot. Bonds7

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine

2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine (PubChem CID 125114208) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
PubChem CID125114208
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
SMILESCC(C)n1cc(CNCCSc2nnnn2C)c2ccccc21
InChIInChI=1S/C16H22N6S/c1-12(2)22-11-13(14-6-4-5-7-15(14)22)10-17-8-9-23-16-18-19-20-21(16)3/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyAQFNTAZZNGJPSQ-UHFFFAOYSA-N
XLogP2.63
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylindol-3-yl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 125114504
N-[(2-ethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 4718433
N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine
CID 119027489
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 131916332
N-[(2-methoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 6485937
N-[(1-propan-2-ylindol-3-yl)methyl]prop-2-en-1-amine
CID 94074093
N-[(4-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17291661
N-[(4-chlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine chloride
CID 53346680
N-[(4-chlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 2976228
N-[(4-methylsulfanylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 2996892
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
CID 124798455

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine (CID 125114208) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine is CC(C)n1cc(CNCCSc2nnnn2C)c2ccccc21.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine?
The InChIKey is AQFNTAZZNGJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-12(2)22-11-13(14-6-4-5-7-15(14)22)10-17-8-9-23-16-18-19-20-21(16)3/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine?
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine has a molecular weight of 330.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine is sourced from PubChem (CID 125114208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).