2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine

C12H26N2O2S — CID 79621958

IUPAC2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
SMILESCCC(C)(CN)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-4-12(2,10-13)8-11-6-5-7-14(9-11)17(3,15)16/h11H,4-10,13H2,1-3H3
InChIKeyFTEFMLPFADXXPB-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.42
Rot. Bonds5

About 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine

2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine (PubChem CID 79621958) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
PubChem CID79621958
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
SMILESCCC(C)(CN)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-4-12(2,10-13)8-11-6-5-7-14(9-11)17(3,15)16/h11H,4-10,13H2,1-3H3
InChIKeyFTEFMLPFADXXPB-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
ethyl 2-(aminomethyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butanoate
CID 106487613
3-[2-(chloromethyl)-2-ethylbutyl]-1-methylsulfonylpiperidine
CID 79622675
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
CID 79613127
2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine
CID 115918066
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79610035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine (CID 79621958) is 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine is CCC(C)(CN)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine?
The InChIKey is FTEFMLPFADXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-12(2,10-13)8-11-6-5-7-14(9-11)17(3,15)16/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine?
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 79621958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).