(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C17H20N6OS — CID 7762424

IUPAC(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C17H20N6OS/c1-13(15(24)19-17(12-18)10-6-3-7-11-17)25-16-20-21-22-23(16)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,19,24)/t13-/m1/s1
InChIKeyQHIBYOSYLYNJLE-CYBMUJFWSA-N
MW356.46 g/mol
LogP2.49
Rot. Bonds5

About (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 7762424) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID7762424
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C17H20N6OS/c1-13(15(24)19-17(12-18)10-6-3-7-11-17)25-16-20-21-22-23(16)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,19,24)/t13-/m1/s1
InChIKeyQHIBYOSYLYNJLE-CYBMUJFWSA-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

N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
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(2S)-N-(1-cyanocyclohexyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9329306
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
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(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 9274512
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
(2R)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 7989773
N-(1-cyanocyclohexyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51141007
2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 4819558
(2S)-N-(1-cyanocyclohexyl)-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40585995
(2S)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 7762424) is (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is QHIBYOSYLYNJLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-13(15(24)19-17(12-18)10-6-3-7-11-17)25-16-20-21-22-23(16)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,19,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide 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 (2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 7762424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).