N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine

C9H20N2O2S — CID 83006974

IUPACN-(1-methylsulfonylpropan-2-yl)piperidin-1-amine
SMILESCC(CS(C)(=O)=O)NN1CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-9(8-14(2,12)13)10-11-6-4-3-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyLIAAHYYEHAXMOU-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine

N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine (PubChem CID 83006974) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)piperidin-1-amine
PubChem CID83006974
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(1-methylsulfonylpropan-2-yl)piperidin-1-amine
SMILESCC(CS(C)(=O)=O)NN1CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-9(8-14(2,12)13)10-11-6-4-3-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyLIAAHYYEHAXMOU-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine (CID 83006974) is N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine is CC(CS(C)(=O)=O)NN1CCCCC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine?
The InChIKey is LIAAHYYEHAXMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(8-14(2,12)13)10-11-6-4-3-5-7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine?
N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine has a molecular weight of 220.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)piperidin-1-amine is sourced from PubChem (CID 83006974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).