N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide

C14H30N2O2S — CID 55009152

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide
SMILESCC(N(C)S(=O)(=O)CCC1CCCCN1)C(C)(C)C
InChIInChI=1S/C14H30N2O2S/c1-12(14(2,3)4)16(5)19(17,18)11-9-13-8-6-7-10-15-13/h12-13,15H,6-11H2,1-5H3
InChIKeyDXKXVVLFYIAHGV-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.21
Rot. Bonds5

About N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide (PubChem CID 55009152) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide
PubChem CID55009152
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide
SMILESCC(N(C)S(=O)(=O)CCC1CCCCN1)C(C)(C)C
InChIInChI=1S/C14H30N2O2S/c1-12(14(2,3)4)16(5)19(17,18)11-9-13-8-6-7-10-15-13/h12-13,15H,6-11H2,1-5H3
InChIKeyDXKXVVLFYIAHGV-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 62337343
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 63700740
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
N-cyclopropyl-N-ethyl-2-piperidin-2-ylethanesulfonamide
CID 54972623
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
CID 63855870
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
CID 106630591
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
2-(2-tert-butylsulfonylethyl)pyrrolidine
CID 84685127
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide (CID 55009152) is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide is CC(N(C)S(=O)(=O)CCC1CCCCN1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide?
The InChIKey is DXKXVVLFYIAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-12(14(2,3)4)16(5)19(17,18)11-9-13-8-6-7-10-15-13/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 55009152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).