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

C12H26N2O2S — CID 62582049

IUPACN-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-11(2)13-9-12-5-4-6-14(10-12)7-8-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyLJCVDOWSXCPCSH-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds6

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

N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 62582049) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID62582049
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-11(2)13-9-12-5-4-6-14(10-12)7-8-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyLJCVDOWSXCPCSH-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine (CID 62582049) is N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(CCS(C)(=O)=O)C1.
What is the InChIKey of N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is LJCVDOWSXCPCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)13-9-12-5-4-6-14(10-12)7-8-17(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-methylsulfonylethyl)piperidin-3-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 N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62582049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).