N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide

C11H24N2O2S — CID 94197261

IUPACN-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide
SMILESC[C@H]1CCCN(C(C)(C)CNS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-10-6-5-7-13(8-10)11(2,3)9-12-16(4,14)15/h10,12H,5-9H2,1-4H3/t10-/m0/s1
InChIKeySBGKKHDOZPQZOD-JTQLQIEISA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds4

About N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide

N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide (PubChem CID 94197261) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide
PubChem CID94197261
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide
SMILESC[C@H]1CCCN(C(C)(C)CNS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-10-6-5-7-13(8-10)11(2,3)9-12-16(4,14)15/h10,12H,5-9H2,1-4H3/t10-/m0/s1
InChIKeySBGKKHDOZPQZOD-JTQLQIEISA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
CID 17788376
N-[2-(1-methylpiperidin-4-yl)ethyl]methanesulfonamide
CID 72025553
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide
CID 71975842
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 71970292
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 97600100
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 97600102
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 99107694
N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
CID 99848916
N'-(2,2-difluoroethyl)-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 107494371
N'-[(1-methylsulfonylpiperidin-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494632
[1-Methylsulfonyl-2-(trifluoromethyl)piperidin-2-yl]methanamine
CID 115267137
6,6,6-Trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine
CID 116535289

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide (CID 94197261) is N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide is C[C@H]1CCCN(C(C)(C)CNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide?
The InChIKey is SBGKKHDOZPQZOD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10-6-5-7-13(8-10)11(2,3)9-12-16(4,14)15/h10,12H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide?
N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 94197261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).