N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide

C12H27N3O2S — CID 63859267

IUPACN-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide
SMILESCN1CCC(CNCC(C)(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C12H27N3O2S/c1-12(2,14-18(4,16)17)10-13-9-11-5-7-15(3)8-6-11/h11,13-14H,5-10H2,1-4H3
InChIKeyHXXQOWHTDHSQEX-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.25
Rot. Bonds6

About N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide (PubChem CID 63859267) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide
PubChem CID63859267
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide
SMILESCN1CCC(CNCC(C)(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C12H27N3O2S/c1-12(2,14-18(4,16)17)10-13-9-11-5-7-15(3)8-6-11/h11,13-14H,5-10H2,1-4H3
InChIKeyHXXQOWHTDHSQEX-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-1-[(1-methylpiperidin-3-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63864960
N-[2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859486
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2,2-difluoro-3-[(1-methylpiperidin-4-yl)methylamino]propan-1-ol
CID 106173015
2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol
CID 106291066
N-[2-methyl-1-(piperidin-2-ylmethylamino)propan-2-yl]methanesulfonamide
CID 106633955
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 115214151
N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79165106
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 114999323

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide (CID 63859267) is N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide is CN1CCC(CNCC(C)(C)NS(C)(=O)=O)CC1.
What is the InChIKey of N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide?
The InChIKey is HXXQOWHTDHSQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2,14-18(4,16)17)10-13-9-11-5-7-15(3)8-6-11/h11,13-14H,5-10H2,1-4H3.
What are the key properties of N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).