(2R)-N-(thian-4-yl)piperidine-2-carboxamide

C11H20N2OS — CID 103810216

IUPAC(2R)-N-(thian-4-yl)piperidine-2-carboxamide
SMILESO=C(NC1CCSCC1)[C@H]1CCCCN1
InChIInChI=1S/C11H20N2OS/c14-11(10-3-1-2-6-12-10)13-9-4-7-15-8-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1
InChIKeySGORPTQRODKQKP-SNVBAGLBSA-N
MW228.36 g/mol
LogP1.14
Rot. Bonds2

About (2R)-N-(thian-4-yl)piperidine-2-carboxamide

(2R)-N-(thian-4-yl)piperidine-2-carboxamide (PubChem CID 103810216) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2R)-N-(thian-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(thian-4-yl)piperidine-2-carboxamide
PubChem CID103810216
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2R)-N-(thian-4-yl)piperidine-2-carboxamide
SMILESO=C(NC1CCSCC1)[C@H]1CCCCN1
InChIInChI=1S/C11H20N2OS/c14-11(10-3-1-2-6-12-10)13-9-4-7-15-8-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1
InChIKeySGORPTQRODKQKP-SNVBAGLBSA-N
XLogP1.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810217
N-(thian-4-yl)pyrrolidine-2-carboxamide
CID 115626530
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 114123028
N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 119309724
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
CID 114123094
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(thian-4-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(thian-4-yl)piperidine-2-carboxamide (CID 103810216) is (2R)-N-(thian-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(thian-4-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(thian-4-yl)piperidine-2-carboxamide is O=C(NC1CCSCC1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(thian-4-yl)piperidine-2-carboxamide?
The InChIKey is SGORPTQRODKQKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(10-3-1-2-6-12-10)13-9-4-7-15-8-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-N-(thian-4-yl)piperidine-2-carboxamide?
(2R)-N-(thian-4-yl)piperidine-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(thian-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 103810216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).