(2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide

C17H25N5OS — CID 8959675

IUPAC(2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
SMILESCc1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1C1CC1
InChIInChI=1S/C17H25N5OS/c1-12(24-16-20-19-13(2)22(16)14-7-8-14)15(23)21(3)17(11-18)9-5-4-6-10-17/h12,14H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyCEPINWWLLNSNPA-GFCCVEGCSA-N
MW347.49 g/mol
LogP3.09
Rot. Bonds5

About (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide

(2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide (PubChem CID 8959675) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
PubChem CID8959675
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
SMILESCc1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1C1CC1
InChIInChI=1S/C17H25N5OS/c1-12(24-16-20-19-13(2)22(16)14-7-8-14)15(23)21(3)17(11-18)9-5-4-6-10-17/h12,14H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyCEPINWWLLNSNPA-GFCCVEGCSA-N
XLogP3.09
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 39967243
N-cyclohexyl-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 55311486
(2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 8739218
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890260
(2R)-N-carbamoyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9377742
(2S)-N-benzyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 8723235
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 27945102
(2S)-N-benzyl-N-tert-butyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8959757
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide
CID 9377886
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8725954
(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8725947
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8723378

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide?
The IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide (CID 8959675) is (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide?
The canonical SMILES for (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide is Cc1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1C1CC1.
What is the InChIKey of (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide?
The InChIKey is CEPINWWLLNSNPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12(24-16-20-19-13(2)22(16)14-7-8-14)15(23)21(3)17(11-18)9-5-4-6-10-17/h12,14H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide?
(2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide has a molecular weight of 347.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide is sourced from PubChem (CID 8959675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).