N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

C12H22N2O4S — CID 94029567

IUPACN-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C12H22N2O4S/c1-19(16,17)13-8-10-4-2-6-14(9-10)12(15)11-5-3-7-18-11/h10-11,13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyXUSSGYDIXGWJTB-QWRGUYRKSA-N
MW290.39 g/mol
LogP-0.05
Rot. Bonds4

About N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 94029567) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID94029567
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC NameN-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C12H22N2O4S/c1-19(16,17)13-8-10-4-2-6-14(9-10)12(15)11-5-3-7-18-11/h10-11,13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyXUSSGYDIXGWJTB-QWRGUYRKSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62213043
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605
[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103855486
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288828
N-[[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 136514848
[3-(2-chloroethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 63395711
N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288848
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 174348554

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (CID 94029567) is N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1.
What is the InChIKey of N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is XUSSGYDIXGWJTB-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-19(16,17)13-8-10-4-2-6-14(9-10)12(15)11-5-3-7-18-11/h10-11,13H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 94029567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).