(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide

C11H20N2O3S — CID 124592544

IUPAC(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide
SMILESO=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H20N2O3S/c14-11(10-5-1-2-6-12-10)13-8-9-4-3-7-17(9,15)16/h9-10,12H,1-8H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyZKPOAIJKDVPBCQ-ZJUUUORDSA-N
MW260.36 g/mol
LogP-0.18
Rot. Bonds3

About (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide

(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide (PubChem CID 124592544) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide
PubChem CID124592544
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide
SMILESO=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H20N2O3S/c14-11(10-5-1-2-6-12-10)13-8-9-4-3-7-17(9,15)16/h9-10,12H,1-8H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyZKPOAIJKDVPBCQ-ZJUUUORDSA-N
XLogP-0.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide
CID 81039320
N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 81042530
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
(2S)-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 103809808
(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]cyclohexane-1-carboxamide
CID 81038544
(2R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119689244
(2R)-N-[(2-methylcyclopentyl)methyl]piperidine-2-carboxamide
CID 107418450
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119785410
N-[(2-hydroxycyclopentyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 111463943

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide (CID 124592544) is (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide is O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide?
The InChIKey is ZKPOAIJKDVPBCQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(10-5-1-2-6-12-10)13-8-9-4-3-7-17(9,15)16/h9-10,12H,1-8H2,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide?
(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 124592544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).