2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide

C9H21N3O2S — CID 114385516

IUPAC2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide
SMILESCNC1(C)CCN(CCS(N)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-9(11-2)3-5-12(6-4-9)7-8-15(10,13)14/h11H,3-8H2,1-2H3,(H2,10,13,14)
InChIKeyDMBNBYNDVGINNW-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.65
Rot. Bonds4

About 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide

2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide (PubChem CID 114385516) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide
PubChem CID114385516
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide
SMILESCNC1(C)CCN(CCS(N)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-9(11-2)3-5-12(6-4-9)7-8-15(10,13)14/h11H,3-8H2,1-2H3,(H2,10,13,14)
InChIKeyDMBNBYNDVGINNW-UHFFFAOYSA-N
XLogP-0.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115304874
1-(2-cyclopropylethyl)-N,4-dimethylpiperidin-4-amine
CID 115305380
1-but-3-ynyl-N,4-dimethylpiperidin-4-amine
CID 115305025
N,N-dimethyl-3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305448
3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide
CID 112594762
N,4-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperidin-4-amine
CID 106455102
2-piperazin-1-ylethanesulfonamide
CID 54595802
2-(1,2,5-dithiazepan-5-yl)ethanesulfonamide
CID 131223941
N,4-dimethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
CID 115304775
1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304752
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304810

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide (CID 114385516) is 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide is CNC1(C)CCN(CCS(N)(=O)=O)CC1.
What is the InChIKey of 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide?
The InChIKey is DMBNBYNDVGINNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9(11-2)3-5-12(6-4-9)7-8-15(10,13)14/h11H,3-8H2,1-2H3,(H2,10,13,14).
What are the key properties of 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide?
2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 114385516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).