2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine

C15H32N2O2S — CID 106725815

IUPAC2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)S(=O)(=O)CCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C15H32N2O2S/c1-13(2)20(18,19)10-9-17-8-6-7-14(12-17)11-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyTYXSTOOQASBPEA-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds6

About 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 106725815) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID106725815
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)S(=O)(=O)CCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C15H32N2O2S/c1-13(2)20(18,19)10-9-17-8-6-7-14(12-17)11-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyTYXSTOOQASBPEA-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817
2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 176596314
N-[[1-[3-(dimethylamino)propyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114525593
1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
CID 104835427
N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220646
1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine
CID 106721523
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
N-[[1-(cyclopropylmethoxymethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 106931141
3-bromo-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731131
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine (CID 106725815) is 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)S(=O)(=O)CCN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is TYXSTOOQASBPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-13(2)20(18,19)10-9-17-8-6-7-14(12-17)11-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106725815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).