4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine

C17H22ClN5S — CID 649276

IUPAC4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
SMILESClc1ccc(C(c2nnnn2C2CCCC2)N2CCSCC2)cc1
InChIInChI=1S/C17H22ClN5S/c18-14-7-5-13(6-8-14)16(22-9-11-24-12-10-22)17-19-20-21-23(17)15-3-1-2-4-15/h5-8,15-16H,1-4,9-12H2
InChIKeyIMIWDYRMURQUCO-UHFFFAOYSA-N
MW363.92 g/mol
LogP3.58
Rot. Bonds4

About 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine

4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine (PubChem CID 649276) has the molecular formula C17H22ClN5S and a molecular weight of 363.92 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
PubChem CID649276
Molecular FormulaC17H22ClN5S
Molecular Weight363.92 g/mol
Exact Mass363.13
IUPAC Name4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
SMILESClc1ccc(C(c2nnnn2C2CCCC2)N2CCSCC2)cc1
InChIInChI=1S/C17H22ClN5S/c18-14-7-5-13(6-8-14)16(22-9-11-24-12-10-22)17-19-20-21-23(17)15-3-1-2-4-15/h5-8,15-16H,1-4,9-12H2
InChIKeyIMIWDYRMURQUCO-UHFFFAOYSA-N
XLogP3.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.92
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
CID 3193514
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1443491
2-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433795
1-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 3208596
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
CID 1433524
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine (CID 649276) is 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine is Clc1ccc(C(c2nnnn2C2CCCC2)N2CCSCC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine?
The InChIKey is IMIWDYRMURQUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5S/c18-14-7-5-13(6-8-14)16(22-9-11-24-12-10-22)17-19-20-21-23(17)15-3-1-2-4-15/h5-8,15-16H,1-4,9-12H2.
What are the key properties of 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine?
4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine has a molecular weight of 363.92 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine is sourced from PubChem (CID 649276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).