2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine

C10H22N2O3S — CID 107392208

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine
SMILESCOC1(C)CCCN(S(=O)(=O)C(C)CN)C1
InChIInChI=1S/C10H22N2O3S/c1-9(7-11)16(13,14)12-6-4-5-10(2,8-12)15-3/h9H,4-8,11H2,1-3H3
InChIKeyFKENCUUVNCNHMP-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.16
Rot. Bonds4

About 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine

2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine (PubChem CID 107392208) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine
PubChem CID107392208
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine
SMILESCOC1(C)CCCN(S(=O)(=O)C(C)CN)C1
InChIInChI=1S/C10H22N2O3S/c1-9(7-11)16(13,14)12-6-4-5-10(2,8-12)15-3/h9H,4-8,11H2,1-3H3
InChIKeyFKENCUUVNCNHMP-UHFFFAOYSA-N
XLogP0.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine (CID 107392208) is 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine is COC1(C)CCCN(S(=O)(=O)C(C)CN)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine?
The InChIKey is FKENCUUVNCNHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(7-11)16(13,14)12-6-4-5-10(2,8-12)15-3/h9H,4-8,11H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine?
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 107392208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).