3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine

C10H22N2O3S — CID 106586707

IUPAC3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
SMILESCOCC1CCCN(S(=O)(=O)CCCN)C1
InChIInChI=1S/C10H22N2O3S/c1-15-9-10-4-2-6-12(8-10)16(13,14)7-3-5-11/h10H,2-9,11H2,1H3
InChIKeyCATYHTQDPYKFJV-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.02
Rot. Bonds6

About 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine

3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine (PubChem CID 106586707) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
PubChem CID106586707
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
SMILESCOCC1CCCN(S(=O)(=O)CCCN)C1
InChIInChI=1S/C10H22N2O3S/c1-15-9-10-4-2-6-12(8-10)16(13,14)7-3-5-11/h10H,2-9,11H2,1H3
InChIKeyCATYHTQDPYKFJV-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

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Related Compounds

1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
CID 103532634
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63879116
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine?
The IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine (CID 106586707) is 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine is COCC1CCCN(S(=O)(=O)CCCN)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine?
The InChIKey is CATYHTQDPYKFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-15-9-10-4-2-6-12(8-10)16(13,14)7-3-5-11/h10H,2-9,11H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine?
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine 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 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine is sourced from PubChem (CID 106586707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).