1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine

C15H23N5S — CID 64650163

IUPAC1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C15H23N5S/c1-3-8-13(16-11-4-2)12-21-15-17-18-19-20(15)14-9-6-5-7-10-14/h5-7,9-10,13,16H,3-4,8,11-12H2,1-2H3
InChIKeyBRMZBDCSFDJPMU-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.92
Rot. Bonds9

About 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine

1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine (PubChem CID 64650163) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
PubChem CID64650163
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C15H23N5S/c1-3-8-13(16-11-4-2)12-21-15-17-18-19-20(15)14-9-6-5-7-10-14/h5-7,9-10,13,16H,3-4,8,11-12H2,1-2H3
InChIKeyBRMZBDCSFDJPMU-UHFFFAOYSA-N
XLogP2.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-phenyltetrazol-5-yl)sulfanyl-N-propylbutan-1-amine
CID 62579162
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62577878
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296
4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol
CID 64898439
2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine
CID 123935280
2-ethoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 63071022

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine (CID 64650163) is 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine is CCCNC(CCC)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine?
The InChIKey is BRMZBDCSFDJPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-8-13(16-11-4-2)12-21-15-17-18-19-20(15)14-9-6-5-7-10-14/h5-7,9-10,13,16H,3-4,8,11-12H2,1-2H3.
What are the key properties of 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine?
1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine has a molecular weight of 305.45 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 64650163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).