1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine

C12H26N2O3S — CID 91277554

IUPAC1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine
SMILESCOCC(C)NCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-12(11-17-2)13-7-6-10-18(15,16)14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3
InChIKeyDDARGGARUBFWGV-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds8

About 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine

1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine (PubChem CID 91277554) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine
PubChem CID91277554
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine
SMILESCOCC(C)NCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-12(11-17-2)13-7-6-10-18(15,16)14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3
InChIKeyDDARGGARUBFWGV-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.82
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-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine (CID 91277554) is 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine is COCC(C)NCCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine?
The InChIKey is DDARGGARUBFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-12(11-17-2)13-7-6-10-18(15,16)14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine?
1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine is sourced from PubChem (CID 91277554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).