1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine

C11H24N2O3S — CID 55172691

IUPAC1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)CCCOC)C1
InChIInChI=1S/C11H24N2O3S/c1-12-9-11-5-3-6-13(10-11)17(14,15)8-4-7-16-2/h11-12H,3-10H2,1-2H3
InChIKeyNLIVRFFKYCJGFU-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.28
Rot. Bonds7

About 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine

1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 55172691) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine
PubChem CID55172691
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)CCCOC)C1
InChIInChI=1S/C11H24N2O3S/c1-12-9-11-5-3-6-13(10-11)17(14,15)8-4-7-16-2/h11-12H,3-10H2,1-2H3
InChIKeyNLIVRFFKYCJGFU-UHFFFAOYSA-N
XLogP0.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine (CID 55172691) is 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(S(=O)(=O)CCCOC)C1.
What is the InChIKey of 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is NLIVRFFKYCJGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-12-9-11-5-3-6-13(10-11)17(14,15)8-4-7-16-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine?
1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 264.39 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 55172691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).