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

C18H24ClN5S — CID 3193514

IUPAC4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
SMILESClc1ccc(C(c2nnnn2C2CCCCC2)N2CCSCC2)cc1
InChIInChI=1S/C18H24ClN5S/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2
InChIKeyKMWZKFGVVKYASK-UHFFFAOYSA-N
MW377.95 g/mol
LogP3.97
Rot. Bonds4

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

4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine (PubChem CID 3193514) has the molecular formula C18H24ClN5S and a molecular weight of 377.95 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
PubChem CID3193514
Molecular FormulaC18H24ClN5S
Molecular Weight377.95 g/mol
Exact Mass377.14
IUPAC Name4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
SMILESClc1ccc(C(c2nnnn2C2CCCCC2)N2CCSCC2)cc1
InChIInChI=1S/C18H24ClN5S/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2
InChIKeyKMWZKFGVVKYASK-UHFFFAOYSA-N
XLogP3.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.95
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
CID 649276
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 3208596
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1443491
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
2-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433795
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
CID 1433524
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
4-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433911
4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433910

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine (CID 3193514) is 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine is Clc1ccc(C(c2nnnn2C2CCCCC2)N2CCSCC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine?
The InChIKey is KMWZKFGVVKYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5S/c19-15-8-6-14(7-9-15)17(23-10-12-25-13-11-23)18-20-21-22-24(18)16-4-2-1-3-5-16/h6-9,16-17H,1-5,10-13H2.
What are the key properties of 4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine?
4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine has a molecular weight of 377.95 g/mol, XLogP of 3.97, 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-cyclohexyltetrazol-5-yl)methyl]thiomorpholine is sourced from PubChem (CID 3193514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).