4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine

C18H21N5OS2 — CID 1432179

IUPAC4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine
SMILESCOc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCSCC2)cc1
InChIInChI=1S/C18H21N5OS2/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-10-26-16)22-8-11-25-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3/t17-/m1/s1
InChIKeyBYEJNSKTZJXOCU-QGZVFWFLSA-N
MW387.53 g/mol
LogP2.93
Rot. Bonds6

About 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine

4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine (PubChem CID 1432179) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine.

Molecular Properties

Compound Name4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine
PubChem CID1432179
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC Name4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine
SMILESCOc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCSCC2)cc1
InChIInChI=1S/C18H21N5OS2/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-10-26-16)22-8-11-25-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3/t17-/m1/s1
InChIKeyBYEJNSKTZJXOCU-QGZVFWFLSA-N
XLogP2.93
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433890
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867
1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 51685873
1-(4-fluorophenyl)-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 1438452
2-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-2-azoniaspiro[5.5]undecane
CID 6985743
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]azepane
CID 1437502
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]azepane
CID 3229271
1-(4-methoxyphenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447806
1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine
CID 1432518

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine?
The IUPAC name of 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine (CID 1432179) is 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine.
What is the SMILES notation for 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine?
The canonical SMILES for 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine is COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCSCC2)cc1.
What is the InChIKey of 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine?
The InChIKey is BYEJNSKTZJXOCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-24-15-6-4-14(5-7-15)13-23-18(19-20-21-23)17(16-3-2-10-26-16)22-8-11-25-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3/t17-/m1/s1.
What are the key properties of 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine?
4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine has a molecular weight of 387.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine is sourced from PubChem (CID 1432179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).