4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine

C15H21N5OS — CID 1438561

IUPAC4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
SMILESc1csc([C@@H](c2nnnn2C2CCCC2)N2CCOCC2)c1
InChIInChI=1S/C15H21N5OS/c1-2-5-12(4-1)20-15(16-17-18-20)14(13-6-3-11-22-13)19-7-9-21-10-8-19/h3,6,11-12,14H,1-2,4-5,7-10H2/t14-/m0/s1
InChIKeyJZFZKZOWGMEMGC-AWEZNQCLSA-N
MW319.43 g/mol
LogP2.27
Rot. Bonds4

About 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine

4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine (PubChem CID 1438561) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
PubChem CID1438561
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
SMILESc1csc([C@@H](c2nnnn2C2CCCC2)N2CCOCC2)c1
InChIInChI=1S/C15H21N5OS/c1-2-5-12(4-1)20-15(16-17-18-20)14(13-6-3-11-22-13)19-7-9-21-10-8-19/h3,6,11-12,14H,1-2,4-5,7-10H2/t14-/m0/s1
InChIKeyJZFZKZOWGMEMGC-AWEZNQCLSA-N
XLogP2.27
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 3193444
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 1431340
4-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140874
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
1-(3-chlorophenyl)-4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 1431474
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3193477
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193437
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 5186741
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 653718
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-4-ium-1-yl]phenol
CID 7140482

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine?
The IUPAC name of 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine (CID 1438561) is 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine.
What is the SMILES notation for 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine?
The canonical SMILES for 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine is c1csc([C@@H](c2nnnn2C2CCCC2)N2CCOCC2)c1.
What is the InChIKey of 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine?
The InChIKey is JZFZKZOWGMEMGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-2-5-12(4-1)20-15(16-17-18-20)14(13-6-3-11-22-13)19-7-9-21-10-8-19/h3,6,11-12,14H,1-2,4-5,7-10H2/t14-/m0/s1.
What are the key properties of 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine?
4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine has a molecular weight of 319.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine is sourced from PubChem (CID 1438561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).