N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine

C14H21N5S — CID 62577878

IUPACN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
SMILESCCCCCNCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5S/c1-2-3-7-10-15-11-12-20-14-16-17-18-19(14)13-8-5-4-6-9-13/h4-6,8-9,15H,2-3,7,10-12H2,1H3
InChIKeyWSRMTTRBKRNPOT-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.53
Rot. Bonds9

About N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine

N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine (PubChem CID 62577878) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
PubChem CID62577878
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
SMILESCCCCCNCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5S/c1-2-3-7-10-15-11-12-20-14-16-17-18-19(14)13-8-5-4-6-9-13/h4-6,8-9,15H,2-3,7,10-12H2,1H3
InChIKeyWSRMTTRBKRNPOT-UHFFFAOYSA-N
XLogP2.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.53
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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Related Compounds

4-(1-phenyltetrazol-5-yl)sulfanyl-N-propylbutan-1-amine
CID 62579162
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
N',N'-dimethyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]ethane-1,2-diamine
CID 62578094
N-(2-methoxyethyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 62578744
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62578341
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
(Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine
CID 98438129
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
N-[(4-chlorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17123296
N-[(1-methylindol-3-yl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 125114504
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 6485916
N-(cyclohexylmethyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 17158692

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine?
The IUPAC name of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine (CID 62577878) is N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine?
The canonical SMILES for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine is CCCCCNCCSc1nnnn1-c1ccccc1.
What is the InChIKey of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine?
The InChIKey is WSRMTTRBKRNPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-2-3-7-10-15-11-12-20-14-16-17-18-19(14)13-8-5-4-6-9-13/h4-6,8-9,15H,2-3,7,10-12H2,1H3.
What are the key properties of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine?
N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine is sourced from PubChem (CID 62577878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).