2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine

C14H21N5S — CID 4721373

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCCSc2nnnn2C)cc1
InChIInChI=1S/C14H21N5S/c1-11(2)13-6-4-12(5-7-13)10-15-8-9-20-14-16-17-18-19(14)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyLDRPJLGZPCQILG-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.22
Rot. Bonds7

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine

2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 4721373) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID4721373
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCCSc2nnnn2C)cc1
InChIInChI=1S/C14H21N5S/c1-11(2)13-6-4-12(5-7-13)10-15-8-9-20-14-16-17-18-19(14)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyLDRPJLGZPCQILG-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 4721373) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine is CC(C)c1ccc(CNCCSc2nnnn2C)cc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is LDRPJLGZPCQILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-11(2)13-6-4-12(5-7-13)10-15-8-9-20-14-16-17-18-19(14)3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 4721373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).