1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol

C14H17ClN4OS — CID 110897654

IUPAC1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
SMILESOC(CSc1nnnn1C1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H17ClN4OS/c15-12-8-4-3-7-11(12)13(20)9-21-14-16-17-18-19(14)10-5-1-2-6-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2
InChIKeyMXPLEVAGMFJMOW-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol

1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol (PubChem CID 110897654) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
PubChem CID110897654
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
SMILESOC(CSc1nnnn1C1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H17ClN4OS/c15-12-8-4-3-7-11(12)13(20)9-21-14-16-17-18-19(14)10-5-1-2-6-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2
InChIKeyMXPLEVAGMFJMOW-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol
CID 166236999
1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 71898278
1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
CID 110897656
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylpropanoic acid
CID 63098410
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,6-difluorophenyl)ethanol
CID 110897667
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 63901665
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
3-chloro-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]aniline
CID 63747150
5-(3-bromo-2-phenylpropyl)sulfanyl-1-cyclopropyltetrazole
CID 65016228
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol
CID 46692162

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol (CID 110897654) is 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol is OC(CSc1nnnn1C1CCCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The InChIKey is MXPLEVAGMFJMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c15-12-8-4-3-7-11(12)13(20)9-21-14-16-17-18-19(14)10-5-1-2-6-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2.
What are the key properties of 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol has a molecular weight of 324.84 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol is sourced from PubChem (CID 110897654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).