N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide

C13H28N2O2S — CID 60890770

IUPACN-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
SMILESCC(C)C(C)N(C)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C13H28N2O2S/c1-11(2)12(3)15(4)18(16,17)10-7-13-5-8-14-9-6-13/h11-14H,5-10H2,1-4H3
InChIKeyLUXHIWPMTHLQPV-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.68
Rot. Bonds6

About N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide

N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 60890770) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
PubChem CID60890770
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
SMILESCC(C)C(C)N(C)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C13H28N2O2S/c1-11(2)12(3)15(4)18(16,17)10-7-13-5-8-14-9-6-13/h11-14H,5-10H2,1-4H3
InChIKeyLUXHIWPMTHLQPV-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
N-methyl-N-(3-methylbutan-2-yl)-3-piperidin-4-ylpropanamide
CID 62210167
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 43570215
N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide
CID 62546278
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 61413367
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
4-(2-cyclopropylsulfonylethyl)piperidine
CID 84683146
4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
CID 158767557
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 55009152
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide (CID 60890770) is N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide is CC(C)C(C)N(C)S(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is LUXHIWPMTHLQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(2)12(3)15(4)18(16,17)10-7-13-5-8-14-9-6-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide?
N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 60890770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).