N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide

C13H26N2O3S — CID 83028887

IUPACN-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CC2CCCNC2)CCO1
InChIInChI=1S/C13H26N2O3S/c1-13(2)8-12(5-7-18-13)15-19(16,17)10-11-4-3-6-14-9-11/h11-12,14-15H,3-10H2,1-2H3
InChIKeyDNMZBBQONGGCBV-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.86
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide

N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 83028887) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID83028887
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CC2CCCNC2)CCO1
InChIInChI=1S/C13H26N2O3S/c1-13(2)8-12(5-7-18-13)15-19(16,17)10-11-4-3-6-14-9-11/h11-12,14-15H,3-10H2,1-2H3
InChIKeyDNMZBBQONGGCBV-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 55190208
N-cyclopentyl-1-pyrrolidin-3-ylmethanesulfonamide
CID 115039136
N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54973935
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716613
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
CID 106075175
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-morpholin-4-yl-1-piperidin-3-ylmethanesulfonamide
CID 83026477
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106075141
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716775

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide (CID 83028887) is N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide is CC1(C)CC(NS(=O)(=O)CC2CCCNC2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is DNMZBBQONGGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13(2)8-12(5-7-18-13)15-19(16,17)10-11-4-3-6-14-9-11/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide?
N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 83028887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).