N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide

C9H20N2O4S2 — CID 82842676

IUPACN-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S2/c1-11(7-9-3-5-10-6-4-9)17(14,15)8-16(2,12)13/h9-10H,3-8H2,1-2H3
InChIKeyPHFSCTXRHJOBCO-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.75
Rot. Bonds5

About N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide

N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide (PubChem CID 82842676) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
PubChem CID82842676
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S2/c1-11(7-9-3-5-10-6-4-9)17(14,15)8-16(2,12)13/h9-10H,3-8H2,1-2H3
InChIKeyPHFSCTXRHJOBCO-UHFFFAOYSA-N
XLogP-0.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 82842964
N-cyclopropyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82843062
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
N-methyl-N-[methyl(piperidin-4-ylmethyl)sulfamoyl]cyclohexanamine
CID 79716658
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
N,4-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716571
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
CID 130458996
azane;N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 175907731
N-methyl-N-(oxan-4-ylmethyl)piperidine-4-sulfonamide
CID 55225683

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide (CID 82842676) is N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide is CN(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide?
The InChIKey is PHFSCTXRHJOBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-11(7-9-3-5-10-6-4-9)17(14,15)8-16(2,12)13/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide?
N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 82842676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).