1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide

C13H28N2O2S — CID 83144358

IUPAC1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)CC1CCNCC1)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-11(13(2,3)4)9-15-18(16,17)10-12-5-7-14-8-6-12/h11-12,14-15H,5-10H2,1-4H3
InChIKeyDZASVESQVCPSSF-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.59
Rot. Bonds5

About 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide

1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide (PubChem CID 83144358) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide
PubChem CID83144358
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)CC1CCNCC1)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-11(13(2,3)4)9-15-18(16,17)10-12-5-7-14-8-6-12/h11-12,14-15H,5-10H2,1-4H3
InChIKeyDZASVESQVCPSSF-UHFFFAOYSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
CID 83144360
1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
CID 106013582
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
1-cyclopropyl-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664757
N-but-3-yn-2-yl-1-piperidin-4-ylmethanesulfonamide
CID 114418202
N-(dicyclopropylmethyl)-1-piperidin-4-ylmethanesulfonamide
CID 54972712
1-cyclohexyl-N-(2-methylpropyl)methanesulfonamide
CID 62735180
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 114116782
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
CID 65036846
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
1-cyclopropyl-N-(2-ethylbutyl)methanesulfonamide
CID 115673529

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide?
The IUPAC name of 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide (CID 83144358) is 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide is CC(CNS(=O)(=O)CC1CCNCC1)C(C)(C)C.
What is the InChIKey of 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide?
The InChIKey is DZASVESQVCPSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(13(2,3)4)9-15-18(16,17)10-12-5-7-14-8-6-12/h11-12,14-15H,5-10H2,1-4H3.
What are the key properties of 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide?
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide is sourced from PubChem (CID 83144358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).