N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide

C13H26N2O3S — CID 55225493

IUPACN-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H26N2O3S/c1-15(9-13-3-2-8-18-10-13)19(16,17)11-12-4-6-14-7-5-12/h12-14H,2-11H2,1H3
InChIKeyUXYQGZYZUYOZHH-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.67
Rot. Bonds5

About N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide

N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 55225493) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID55225493
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H26N2O3S/c1-15(9-13-3-2-8-18-10-13)19(16,17)11-12-4-6-14-7-5-12/h12-14H,2-11H2,1H3
InChIKeyUXYQGZYZUYOZHH-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl propyl sulfone
CID 91922028
2-(Ethylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 110197861
[9-(Butylsulfonyl)-3,9-diazaspiro[5.5]undec-1-yl]methanol
CID 74250206
4-Methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70097741
N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70653507
1-(Oxan-4-ylmethylsulfonyl)piperidin-4-amine
CID 148438099
Ethane;4-(piperidin-4-yloxymethyl)-1-propan-2-ylsulfonylpiperidine
CID 172297809
(1-Piperidin-3-ylsulfonylpiperidin-3-yl)methanol
CID 43590545
N-methyl-N-(oxan-4-yl)piperidine-3-sulfonamide
CID 43611264
4-Methoxy-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 54971972
4-Methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine
CID 54971973
[1-(Piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol
CID 54972033

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide (CID 55225493) is N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide is CN(CC1CCCOC1)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is UXYQGZYZUYOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-15(9-13-3-2-8-18-10-13)19(16,17)11-12-4-6-14-7-5-12/h12-14H,2-11H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide?
N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 55225493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).