3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine

C11H14ClN5S — CID 66144586

IUPAC3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1CSc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN5S/c12-9-2-4-10(5-3-9)18-8-11-14-15-16-17(11)7-1-6-13/h2-5H,1,6-8,13H2
InChIKeyPUXBZKMHINNYKH-UHFFFAOYSA-N
MW283.79 g/mol
LogP1.97
Rot. Bonds6

About 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine

3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine (PubChem CID 66144586) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
PubChem CID66144586
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1CSc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN5S/c12-9-2-4-10(5-3-9)18-8-11-14-15-16-17(11)7-1-6-13/h2-5H,1,6-8,13H2
InChIKeyPUXBZKMHINNYKH-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387362
4-[5-[(4-bromophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387271
4-[5-[(3-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387282
3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
CID 66072941
4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 43299209
4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol
CID 60864055
3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
CID 82228424
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66052129
3-(4-chlorophenyl)sulfanylpropan-1-amine;hydrochloride
CID 13018772
2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66097605
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine (CID 66144586) is 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine is NCCCn1nnnc1CSc1ccc(Cl)cc1.
What is the InChIKey of 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine?
The InChIKey is PUXBZKMHINNYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c12-9-2-4-10(5-3-9)18-8-11-14-15-16-17(11)7-1-6-13/h2-5H,1,6-8,13H2.
What are the key properties of 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine?
3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine has a molecular weight of 283.79 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 66144586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).