N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine

C11H24N2O2S — CID 79611003

IUPACN-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
SMILESCCC(CC1CCCN(S(C)(=O)=O)C1)NC
InChIInChI=1S/C11H24N2O2S/c1-4-11(12-2)8-10-6-5-7-13(9-10)16(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyOMGKLTRXJATWGG-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds5

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

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine (PubChem CID 79611003) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
PubChem CID79611003
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
SMILESCCC(CC1CCCN(S(C)(=O)=O)C1)NC
InChIInChI=1S/C11H24N2O2S/c1-4-11(12-2)8-10-6-5-7-13(9-10)16(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyOMGKLTRXJATWGG-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
CID 79622916
N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
CID 79610239
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
N-ethyl-4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166976
4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105166938
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The IUPAC name of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine (CID 79611003) is N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine is CCC(CC1CCCN(S(C)(=O)=O)C1)NC.
What is the InChIKey of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The InChIKey is OMGKLTRXJATWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-11(12-2)8-10-6-5-7-13(9-10)16(3,14)15/h10-12H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine is sourced from PubChem (CID 79611003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).