N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide

C13H26N2O4S — CID 114950260

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
SMILESCN(CC1(O)CCOCC1)S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C13H26N2O4S/c1-15(11-13(16)5-8-19-9-6-13)20(17,18)10-12-4-2-3-7-14-12/h12,14,16H,2-11H2,1H3
InChIKeyHGTKPAJBMRLXCB-UHFFFAOYSA-N
MW306.43 g/mol
LogP-0.07
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide (PubChem CID 114950260) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
PubChem CID114950260
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
SMILESCN(CC1(O)CCOCC1)S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C13H26N2O4S/c1-15(11-13(16)5-8-19-9-6-13)20(17,18)10-12-4-2-3-7-14-12/h12,14,16H,2-11H2,1H3
InChIKeyHGTKPAJBMRLXCB-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 105419208
N-[2-(dimethylamino)ethyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55227545
N-(cyclobutylmethyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55125771
N-methyl-1-piperidin-2-yl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 81057169
N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972486
N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 112661633
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 114951806
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949616
N-methyl-N-(piperidin-2-ylmethyl)morpholine-4-sulfonamide
CID 106630410
2-(cyclopropylsulfonylmethyl)piperidine
CID 84671803
N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
CID 115867632
1-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 106613911

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide (CID 114950260) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide is CN(CC1(O)CCOCC1)S(=O)(=O)CC1CCCCN1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is HGTKPAJBMRLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-15(11-13(16)5-8-19-9-6-13)20(17,18)10-12-4-2-3-7-14-12/h12,14,16H,2-11H2,1H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 306.43 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 114950260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).