N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine

C12H26N2O2S — CID 63878751

IUPACN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
SMILESCCS(=O)(=O)N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-17(15,16)14-7-5-12(6-8-14)10-13-9-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyJHFUMTZQKGGIOC-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.29
Rot. Bonds6

About N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine

N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 63878751) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID63878751
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
SMILESCCS(=O)(=O)N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-4-17(15,16)14-7-5-12(6-8-14)10-13-9-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyJHFUMTZQKGGIOC-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792
2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 82843502
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848440
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine (CID 63878751) is N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine is CCS(=O)(=O)N1CCC(CNCC(C)C)CC1.
What is the InChIKey of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is JHFUMTZQKGGIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-17(15,16)14-7-5-12(6-8-14)10-13-9-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63878751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).