1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine

C13H27N3O4S — CID 103541585

IUPAC1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C13H27N3O4S/c1-14-8-11-6-4-5-7-16(11)21(17,18)15-9-12(19-2)13(10-15)20-3/h11-14H,4-10H2,1-3H3
InChIKeyWNXOZMHUJFFJFJ-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.35
Rot. Bonds6

About 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine

1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine (PubChem CID 103541585) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine
PubChem CID103541585
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Name1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C13H27N3O4S/c1-14-8-11-6-4-5-7-16(11)21(17,18)15-9-12(19-2)13(10-15)20-3/h11-14H,4-10H2,1-3H3
InChIKeyWNXOZMHUJFFJFJ-UHFFFAOYSA-N
XLogP-0.35
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 79936055
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 82751229
N-[[1-(3-methoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 103541485
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
N-methyl-1-[(2R)-1-[(2R)-2-methylmorpholin-4-yl]sulfonylpyrrolidin-2-yl]methanamine
CID 125147172
N-methyl-1-[(2R)-1-[(2S)-2-methylmorpholin-4-yl]sulfonylpyrrolidin-2-yl]methanamine
CID 124687548
N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 83045255
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 112746994
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114465274
2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
CID 63878101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine (CID 103541585) is 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1S(=O)(=O)N1CC(OC)C(OC)C1.
What is the InChIKey of 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine?
The InChIKey is WNXOZMHUJFFJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-14-8-11-6-4-5-7-16(11)21(17,18)15-9-12(19-2)13(10-15)20-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine?
1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine has a molecular weight of 321.44 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103541585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).