N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

C12H24N2O4S — CID 103848147

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2(O)CCOC2)C1
InChIInChI=1S/C12H24N2O4S/c1-10-5-11(2)7-14(6-10)19(16,17)13-8-12(15)3-4-18-9-12/h10-11,13,15H,3-9H2,1-2H3
InChIKeyXAMKDXHUZAMOBH-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.05
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 103848147) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID103848147
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2(O)CCOC2)C1
InChIInChI=1S/C12H24N2O4S/c1-10-5-11(2)7-14(6-10)19(16,17)13-8-12(15)3-4-18-9-12/h10-11,13,15H,3-9H2,1-2H3
InChIKeyXAMKDXHUZAMOBH-UHFFFAOYSA-N
XLogP-0.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 115755605
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
CID 81130828
N-[(3-hydroxyoxolan-3-yl)methyl]oxane-4-sulfonamide
CID 103848200
3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol
CID 113349162
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
CID 106102940
ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
CID 103848070
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 106100320
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 106100321
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 103848147) is N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCC2(O)CCOC2)C1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is XAMKDXHUZAMOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10-5-11(2)7-14(6-10)19(16,17)13-8-12(15)3-4-18-9-12/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 103848147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).