N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide

C11H22N2O3S — CID 95141176

IUPACN-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)12-11-2-5-13(6-3-11)8-10-4-7-16-9-10/h10-12H,2-9H2,1H3/t10-/m1/s1
InChIKeyVQHUSAGXEREVGK-SNVBAGLBSA-N
MW262.37 g/mol
LogP0.04
Rot. Bonds4

About N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide

N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 95141176) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide
PubChem CID95141176
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(14,15)12-11-2-5-13(6-3-11)8-10-4-7-16-9-10/h10-12H,2-9H2,1H3/t10-/m1/s1
InChIKeyVQHUSAGXEREVGK-SNVBAGLBSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
CID 134073246
N,4-dimethyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 115303950
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
N-(1-ethylpyrrolidin-3-yl)methanesulfonamide
CID 131150504
1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide
CID 137402497
(2R,6R)-2,6-dimethyl-4-[2-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]ethyl]morpholine
CID 97092866
N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467173
N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133305227
2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 129421859

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide (CID 95141176) is N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C[C@H]2CCOC2)CC1.
What is the InChIKey of N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is VQHUSAGXEREVGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(14,15)12-11-2-5-13(6-3-11)8-10-4-7-16-9-10/h10-12H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 95141176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).