1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride

C11H23ClN2O4S — CID 154907710

IUPAC1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride
SMILESCC1(NS(=O)(=O)CC2COCCO2)CCNCC1.Cl
InChIInChI=1S/C11H22N2O4S.ClH/c1-11(2-4-12-5-3-11)13-18(14,15)9-10-8-16-6-7-17-10;/h10,12-13H,2-9H2,1H3;1H
InChIKeyIPTUAQNOUWGGAG-UHFFFAOYSA-N
MW314.84 g/mol
LogP-0.11
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride

1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride (PubChem CID 154907710) has the molecular formula C11H23ClN2O4S and a molecular weight of 314.84 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride
PubChem CID154907710
Molecular FormulaC11H23ClN2O4S
Molecular Weight314.84 g/mol
Exact Mass314.11
IUPAC Name1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride
SMILESCC1(NS(=O)(=O)CC2COCCO2)CCNCC1.Cl
InChIInChI=1S/C11H22N2O4S.ClH/c1-11(2-4-12-5-3-11)13-18(14,15)9-10-8-16-6-7-17-10;/h10,12-13H,2-9H2,1H3;1H
InChIKeyIPTUAQNOUWGGAG-UHFFFAOYSA-N
XLogP-0.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
CID 120720798
ethane;2-ethyl-1,4-dioxane
CID 170734415
N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide
CID 61063379
1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide
CID 114696752
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid
CID 114696709
N-chloro-2-methyl-4-(1,4,7,10-tetraoxacyclododec-2-ylmethylsulfonyl)butan-2-amine
CID 87691638
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
N-(cyclopropylsulfamoyl)-4-methylpiperidin-4-amine
CID 114811401
N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide
CID 125443221
N-chloro-2-methyl-3-(1,4,7,10-tetraoxacyclododec-2-ylmethylsulfonyl)butan-2-amine
CID 140581503

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride (CID 154907710) is 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride is CC1(NS(=O)(=O)CC2COCCO2)CCNCC1.Cl.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The InChIKey is IPTUAQNOUWGGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S.ClH/c1-11(2-4-12-5-3-11)13-18(14,15)9-10-8-16-6-7-17-10;/h10,12-13H,2-9H2,1H3;1H.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride?
1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride has a molecular weight of 314.84 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 154907710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).