(2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide

C18H27N3O2S — CID 95620265

IUPAC(2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide
SMILESCCSc1ccc(C(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C18H27N3O2S/c1-5-24-15-10-9-13(12-19-15)17(23)21-11-7-6-8-14(21)16(22)20-18(2,3)4/h9-10,12,14H,5-8,11H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyDVCUBGCZVNVSFJ-AWEZNQCLSA-N
MW349.50 g/mol
LogP3.10
Rot. Bonds4

About (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide

(2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide (PubChem CID 95620265) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide
PubChem CID95620265
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide
SMILESCCSc1ccc(C(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C18H27N3O2S/c1-5-24-15-10-9-13(12-19-15)17(23)21-11-7-6-8-14(21)16(22)20-18(2,3)4/h9-10,12,14H,5-8,11H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyDVCUBGCZVNVSFJ-AWEZNQCLSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide
CID 56786574
[(2S)-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidin-2-yl]methylurea
CID 95593964
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
(2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 95621426
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
(6-ethylsulfanyl-3-pyridinyl)-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
CID 125131191
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
tert-butyl (2S)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 80999359
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
N-cyclopropyl-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63979920
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 102559914

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide (CID 95620265) is (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide is CCSc1ccc(C(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C)cn1.
What is the InChIKey of (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is DVCUBGCZVNVSFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-5-24-15-10-9-13(12-19-15)17(23)21-11-7-6-8-14(21)16(22)20-18(2,3)4/h9-10,12,14H,5-8,11H2,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide?
(2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 95620265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).