N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine

C12H26N2O2S — CID 64585741

IUPACN-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
SMILESCCCCN(C)CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-5-8-13(2)11-12-6-9-14(10-7-12)17(3,15)16/h12H,4-11H2,1-3H3
InChIKeyUMNBFBNOQAJJEW-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.39
Rot. Bonds6

About N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine

N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine (PubChem CID 64585741) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
PubChem CID64585741
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
SMILESCCCCN(C)CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-5-8-13(2)11-12-6-9-14(10-7-12)17(3,15)16/h12H,4-11H2,1-3H3
InChIKeyUMNBFBNOQAJJEW-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorobutylsulfonyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 116815452
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 63663822
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119134803
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone
CID 61244693
N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 165491187
N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
CID 170005611
(2S)-2-amino-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 61164403
2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol
CID 56802566
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone
CID 102778861

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine (CID 64585741) is N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine is CCCCN(C)CC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine?
The InChIKey is UMNBFBNOQAJJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-5-8-13(2)11-12-6-9-14(10-7-12)17(3,15)16/h12H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine?
N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 64585741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).