N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide

C11H24N2O3S — CID 119042774

IUPACN-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
SMILESCNCC(C)CNS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C11H24N2O3S/c1-10(7-12-2)8-13-17(14,15)9-11-5-3-4-6-16-11/h10-13H,3-9H2,1-2H3
InChIKeyBWBZPHLOZNOYDS-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.33
Rot. Bonds7

About N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide

N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide (PubChem CID 119042774) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
PubChem CID119042774
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
SMILESCNCC(C)CNS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C11H24N2O3S/c1-10(7-12-2)8-13-17(14,15)9-11-5-3-4-6-16-11/h10-13H,3-9H2,1-2H3
InChIKeyBWBZPHLOZNOYDS-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 66169492

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide?
The IUPAC name of N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide (CID 119042774) is N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide?
The canonical SMILES for N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide is CNCC(C)CNS(=O)(=O)CC1CCCCO1.
What is the InChIKey of N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide?
The InChIKey is BWBZPHLOZNOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(7-12-2)8-13-17(14,15)9-11-5-3-4-6-16-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide?
N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide is sourced from PubChem (CID 119042774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).