(2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide

C13H19N3OS — CID 1238328

IUPAC(2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide
SMILESCc1ccsc1C=NNC(=O)[C@H]1CCCCN1C
InChIInChI=1S/C13H19N3OS/c1-10-6-8-18-12(10)9-14-15-13(17)11-5-3-4-7-16(11)2/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeySYLRJILFGAFYLD-LLVKDONJSA-N
MW265.38 g/mol
LogP1.99
Rot. Bonds3

About (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide

(2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide (PubChem CID 1238328) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide
PubChem CID1238328
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide
SMILESCc1ccsc1C=NNC(=O)[C@H]1CCCCN1C
InChIInChI=1S/C13H19N3OS/c1-10-6-8-18-12(10)9-14-15-13(17)11-5-3-4-7-16(11)2/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeySYLRJILFGAFYLD-LLVKDONJSA-N
XLogP1.99
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4509773
N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 46495519
(3R)-1-(4-methylphenyl)sulfonyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]piperidine-3-carboxamide
CID 9409087
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 136900702
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 94846879
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 910531
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875100
1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 43239929

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide (CID 1238328) is (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide is Cc1ccsc1C=NNC(=O)[C@H]1CCCCN1C.
What is the InChIKey of (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide?
The InChIKey is SYLRJILFGAFYLD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-6-8-18-12(10)9-14-15-13(17)11-5-3-4-7-16(11)2/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide?
(2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide is sourced from PubChem (CID 1238328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).