1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine

C12H26N2O2S — CID 115900963

IUPAC1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-17(15,16)10-11(2)13-9-12-5-7-14(3)8-6-12/h11-13H,4-10H2,1-3H3
InChIKeyVSBYYCMURQFHIQ-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds6

About 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine

1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 115900963) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID115900963
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-17(15,16)10-11(2)13-9-12-5-7-14(3)8-6-12/h11-13H,4-10H2,1-3H3
InChIKeyVSBYYCMURQFHIQ-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
CID 115626115
1-cyclobutyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115717537
1-ethylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 115900778
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropylsulfanyl)propan-2-amine
CID 84588328
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745
6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
CID 116534698
N-[(4-methylcyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629762
N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723502
N-(1-ethylsulfonylpropan-2-yl)-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115900724
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine (CID 115900963) is 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine is CCS(=O)(=O)CC(C)NCC1CCN(C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is VSBYYCMURQFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-17(15,16)10-11(2)13-9-12-5-7-14(3)8-6-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine?
1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 115900963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).