N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C17H20N6OS — CID 55539110

IUPACN-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nnnn2-c2ccccc2)CCCCCC1
InChIInChI=1S/C17H20N6OS/c18-13-17(10-6-1-2-7-11-17)19-15(24)12-25-16-20-21-22-23(16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,19,24)
InChIKeyPFIJJXSTEVERTO-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.49
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 55539110) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID55539110
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nnnn2-c2ccccc2)CCCCCC1
InChIInChI=1S/C17H20N6OS/c18-13-17(10-6-1-2-7-11-17)19-15(24)12-25-16-20-21-22-23(16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,19,24)
InChIKeyPFIJJXSTEVERTO-UHFFFAOYSA-N
XLogP2.49
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 8007297
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(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762424
N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
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N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
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2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
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CID 36987770
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CID 42980248
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 29484884
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 7225455
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 55539110) is N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is N#CC1(NC(=O)CSc2nnnn2-c2ccccc2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PFIJJXSTEVERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c18-13-17(10-6-1-2-7-11-17)19-15(24)12-25-16-20-21-22-23(16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,19,24).
What are the key properties of N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 356.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 55539110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).