1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine

C9H20N2O2S — CID 68522573

IUPAC1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine
SMILESCCC(N)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-9(10)8-4-6-11(7-5-8)14(2,12)13/h8-9H,3-7,10H2,1-2H3
InChIKeyCCZRURZITNMPIF-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.40
Rot. Bonds3

About 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine

1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine (PubChem CID 68522573) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine
PubChem CID68522573
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine
SMILESCCC(N)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-9(10)8-4-6-11(7-5-8)14(2,12)13/h8-9H,3-7,10H2,1-2H3
InChIKeyCCZRURZITNMPIF-UHFFFAOYSA-N
XLogP0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine (CID 68522573) is 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine is CCC(N)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine?
The InChIKey is CCZRURZITNMPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-9(10)8-4-6-11(7-5-8)14(2,12)13/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine?
1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine has a molecular weight of 220.34 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)propan-1-amine is sourced from PubChem (CID 68522573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).