3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine

C8H18N2O3S — CID 103532634

IUPAC3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
SMILESCOC1CCN(S(=O)(=O)CCCN)C1
InChIInChI=1S/C8H18N2O3S/c1-13-8-3-5-10(7-8)14(11,12)6-2-4-9/h8H,2-7,9H2,1H3
InChIKeyXXKRTQZTNJEHNR-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.61
Rot. Bonds5

About 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine

3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine (PubChem CID 103532634) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
PubChem CID103532634
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
SMILESCOC1CCN(S(=O)(=O)CCCN)C1
InChIInChI=1S/C8H18N2O3S/c1-13-8-3-5-10(7-8)14(11,12)6-2-4-9/h8H,2-7,9H2,1H3
InChIKeyXXKRTQZTNJEHNR-UHFFFAOYSA-N
XLogP-0.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine
CID 63165498
2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
CID 103531325
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
3-(1-butylsulfonylpiperidin-4-yl)oxypropan-1-amine;hydrochloride
CID 119992515
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912
3-[2-(3-methoxypyrrolidin-1-yl)sulfonylethoxy]aniline
CID 103530201
3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine
CID 62936725
4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
CID 103495198
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70097741
1-[[4-(chloromethyl)phenyl]methylsulfonyl]-3-methoxypyrrolidine
CID 103541220

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine (CID 103532634) is 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine is COC1CCN(S(=O)(=O)CCCN)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine?
The InChIKey is XXKRTQZTNJEHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-8-3-5-10(7-8)14(11,12)6-2-4-9/h8H,2-7,9H2,1H3.
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine?
3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine has a molecular weight of 222.31 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 103532634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).