4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium

C17H26N5S+ — CID 7390833

IUPAC4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium
SMILESCC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCSCC1
InChIInChI=1S/C17H25N5S/c1-14(2)16(21-10-12-23-13-11-21)17-18-19-20-22(17)9-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/p+1/t16-/m1/s1
InChIKeyCZLUQTSJTVQBRX-MRXNPFEDSA-O
MW332.50 g/mol
LogP1.24
Rot. Bonds6

About 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium

4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium (PubChem CID 7390833) has the molecular formula C17H26N5S+ and a molecular weight of 332.50 g/mol. Its IUPAC name is 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium.

Molecular Properties

Compound Name4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium
PubChem CID7390833
Molecular FormulaC17H26N5S+
Molecular Weight332.50 g/mol
Exact Mass332.19
IUPAC Name4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium
SMILESCC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCSCC1
InChIInChI=1S/C17H25N5S/c1-14(2)16(21-10-12-23-13-11-21)17-18-19-20-22(17)9-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/p+1/t16-/m1/s1
InChIKeyCZLUQTSJTVQBRX-MRXNPFEDSA-O
XLogP1.24
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(S)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7390819
1-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium
CID 7389708
furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone
CID 6986222
4-benzyl-1-[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium
CID 7140417
4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholin-4-ium
CID 7140560
1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213474
1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7383165
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-benzyl-4-[(1S)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7397082
4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213475
2-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7383032

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium?
The IUPAC name of 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium (CID 7390833) is 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium.
What is the SMILES notation for 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium?
The canonical SMILES for 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium is CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCSCC1.
What is the InChIKey of 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium?
The InChIKey is CZLUQTSJTVQBRX-MRXNPFEDSA-O. The full InChI is InChI=1S/C17H25N5S/c1-14(2)16(21-10-12-23-13-11-21)17-18-19-20-22(17)9-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/p+1/t16-/m1/s1.
What are the key properties of 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium?
4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium has a molecular weight of 332.50 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium is sourced from PubChem (CID 7390833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).