1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine

C12H20N2O3S2 — CID 124688256

IUPAC1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNC[C@H]1CCCN(S(=O)(=O)c2sccc2OC)C1
InChIInChI=1S/C12H20N2O3S2/c1-13-8-10-4-3-6-14(9-10)19(15,16)12-11(17-2)5-7-18-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyJBPSERIBJHIPRY-SNVBAGLBSA-N
MW304.44 g/mol
LogP1.38
Rot. Bonds5

About 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine

1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 124688256) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
PubChem CID124688256
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNC[C@H]1CCCN(S(=O)(=O)c2sccc2OC)C1
InChIInChI=1S/C12H20N2O3S2/c1-13-8-10-4-3-6-14(9-10)19(15,16)12-11(17-2)5-7-18-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyJBPSERIBJHIPRY-SNVBAGLBSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 119991163
1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119980148
[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963889
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 55258588
1-[(3S)-1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124686441
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine
CID 124619167
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
(3-methoxythiophen-2-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596275
1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine
CID 106590013
1-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124683067

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine (CID 124688256) is 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine is CNC[C@H]1CCCN(S(=O)(=O)c2sccc2OC)C1.
What is the InChIKey of 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is JBPSERIBJHIPRY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-13-8-10-4-3-6-14(9-10)19(15,16)12-11(17-2)5-7-18-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 304.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 124688256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).