N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H25N6OS+ — CID 8684683

IUPACN-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC[NH+]1CCC(NC(=O)CSc2nnnn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N6OS/c1-3-22-10-8-14(9-11-22)18-16(24)12-25-17-19-20-21-23(17)15-6-4-13(2)5-7-15/h4-7,14H,3,8-12H2,1-2H3,(H,18,24)/p+1
InChIKeyJBPFYLKHNGBVCP-UHFFFAOYSA-O
MW361.50 g/mol
LogP0.25
Rot. Bonds6

About N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 8684683) has the molecular formula C17H25N6OS+ and a molecular weight of 361.50 g/mol. Its IUPAC name is N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID8684683
Molecular FormulaC17H25N6OS+
Molecular Weight361.50 g/mol
Exact Mass361.18
IUPAC NameN-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC[NH+]1CCC(NC(=O)CSc2nnnn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N6OS/c1-3-22-10-8-14(9-11-22)18-16(24)12-25-17-19-20-21-23(17)15-6-4-13(2)5-7-15/h4-7,14H,3,8-12H2,1-2H3,(H,18,24)/p+1
InChIKeyJBPFYLKHNGBVCP-UHFFFAOYSA-O
XLogP0.25
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8682885
4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1071313
N-cycloheptyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5023193
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 8828799
N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615701
N-cyclopentyl-2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetamide
CID 3229008
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9407683
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8917116
N-(3-ethoxypropyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 17405895
N-[(2S)-5-methylhexan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684772
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2615618
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 8684683) is N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is CC[NH+]1CCC(NC(=O)CSc2nnnn2-c2ccc(C)cc2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is JBPFYLKHNGBVCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N6OS/c1-3-22-10-8-14(9-11-22)18-16(24)12-25-17-19-20-21-23(17)15-6-4-13(2)5-7-15/h4-7,14H,3,8-12H2,1-2H3,(H,18,24)/p+1.
What are the key properties of N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 361.50 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 8684683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).