[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine

C10H22N2O3S — CID 63288293

IUPAC[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
SMILESCOCCCS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H22N2O3S/c1-15-7-2-8-16(13,14)12-5-3-10(9-11)4-6-12/h10H,2-9,11H2,1H3
InChIKeyHFDKQXKCTMLHKK-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.02
Rot. Bonds6

About [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine

[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 63288293) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
PubChem CID63288293
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
SMILESCOCCCS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H22N2O3S/c1-15-7-2-8-16(13,14)12-5-3-10(9-11)4-6-12/h10H,2-9,11H2,1H3
InChIKeyHFDKQXKCTMLHKK-UHFFFAOYSA-N
XLogP0.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.02
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-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine (CID 63288293) is [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine is COCCCS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is HFDKQXKCTMLHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-15-7-2-8-16(13,14)12-5-3-10(9-11)4-6-12/h10H,2-9,11H2,1H3.
What are the key properties of [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine?
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 250.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 63288293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).