(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide

C13H18N3OS+ — CID 9249660

IUPAC(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1sccc1C#N)[NH+]1CCCCC1
InChIInChI=1S/C13H17N3OS/c1-10(16-6-3-2-4-7-16)12(17)15-13-11(9-14)5-8-18-13/h5,8,10H,2-4,6-7H2,1H3,(H,15,17)/p+1/t10-/m1/s1
InChIKeyJIDZXNNKTSAUCP-SNVBAGLBSA-O
MW264.37 g/mol
LogP1.02
Rot. Bonds3

About (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide

(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide (PubChem CID 9249660) has the molecular formula C13H18N3OS+ and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide
PubChem CID9249660
Molecular FormulaC13H18N3OS+
Molecular Weight264.37 g/mol
Exact Mass264.12
IUPAC Name(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1sccc1C#N)[NH+]1CCCCC1
InChIInChI=1S/C13H17N3OS/c1-10(16-6-3-2-4-7-16)12(17)15-13-11(9-14)5-8-18-13/h5,8,10H,2-4,6-7H2,1H3,(H,15,17)/p+1/t10-/m1/s1
InChIKeyJIDZXNNKTSAUCP-SNVBAGLBSA-O
XLogP1.02
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-cyanothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9275051
(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9431549
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
2-amino-N-(3-cyanothiophen-2-yl)pentanamide
CID 61259478
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729981
[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8998561
N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 18587186
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111107846

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide?
The IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide (CID 9249660) is (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide.
What is the SMILES notation for (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide?
The canonical SMILES for (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide is C[C@H](C(=O)Nc1sccc1C#N)[NH+]1CCCCC1.
What is the InChIKey of (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide?
The InChIKey is JIDZXNNKTSAUCP-SNVBAGLBSA-O. The full InChI is InChI=1S/C13H17N3OS/c1-10(16-6-3-2-4-7-16)12(17)15-13-11(9-14)5-8-18-13/h5,8,10H,2-4,6-7H2,1H3,(H,15,17)/p+1/t10-/m1/s1.
What are the key properties of (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide?
(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 9249660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).