1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine

C11H20N2O3S — CID 177052766

IUPAC1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine
SMILESC#CCOCCCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C11H20N2O3S/c1-2-8-16-9-3-10-17(14,15)13-6-4-11(12)5-7-13/h1,11H,3-10,12H2
InChIKeyGQEVWRGIUHIWAU-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.22
Rot. Bonds6

About 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine

1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine (PubChem CID 177052766) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine
PubChem CID177052766
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine
SMILESC#CCOCCCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C11H20N2O3S/c1-2-8-16-9-3-10-17(14,15)13-6-4-11(12)5-7-13/h1,11H,3-10,12H2
InChIKeyGQEVWRGIUHIWAU-UHFFFAOYSA-N
XLogP-0.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
3-prop-2-ynoxypropane-1-sulfonic acid
CID 2824968
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
1-but-3-enylsulfonylpiperidin-4-amine
CID 119959235
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
ethyl 1-(3-methoxypropylsulfonyl)piperidine-4-carboxylate
CID 55173077
4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
CID 62205256
1-(2-methoxypropylsulfonyl)piperidin-4-amine
CID 120998704
1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553835
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959284

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine (CID 177052766) is 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine is C#CCOCCCS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine?
The InChIKey is GQEVWRGIUHIWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-8-16-9-3-10-17(14,15)13-6-4-11(12)5-7-13/h1,11H,3-10,12H2.
What are the key properties of 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine?
1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine has a molecular weight of 260.36 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 177052766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).