(3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C12H21N5OS — CID 126447123

IUPAC(3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCSC[C@@H]1CCCN(C(=O)NCc2n[nH]c(C)n2)C1
InChIInChI=1S/C12H21N5OS/c1-9-14-11(16-15-9)6-13-12(18)17-5-3-4-10(7-17)8-19-2/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16)/t10-/m1/s1
InChIKeyCSJHOTTYMQDCKJ-SNVBAGLBSA-N
MW283.40 g/mol
LogP1.40
Rot. Bonds4

About (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

(3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 126447123) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID126447123
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name(3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCSC[C@@H]1CCCN(C(=O)NCc2n[nH]c(C)n2)C1
InChIInChI=1S/C12H21N5OS/c1-9-14-11(16-15-9)6-13-12(18)17-5-3-4-10(7-17)8-19-2/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16)/t10-/m1/s1
InChIKeyCSJHOTTYMQDCKJ-SNVBAGLBSA-N
XLogP1.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126442687
2-(3-hydroxypiperidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 86283968
(3S)-3-(imidazol-1-ylmethyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]piperidine-1-carboxamide
CID 125171773
1H-imidazol-5-yl-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144378
1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144377
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 74234380
2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62675042
3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 128684988
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
CID 71919607
1-(cyclopropylmethyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylurea
CID 119070667
2-[3-(methylsulfanylmethyl)piperidine-1-carbonyl]benzoic acid
CID 121498037

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 126447123) is (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is CSC[C@@H]1CCCN(C(=O)NCc2n[nH]c(C)n2)C1.
What is the InChIKey of (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is CSJHOTTYMQDCKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-9-14-11(16-15-9)6-13-12(18)17-5-3-4-10(7-17)8-19-2/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16)/t10-/m1/s1.
What are the key properties of (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
(3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126447123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).