1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine

C12H20N2O2S2 — CID 79187627

IUPAC1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-7-14(8-10(9)2)18(15,16)12-5-4-11(17-12)6-13-3/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyGNBGCGADDKFOEI-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.74
Rot. Bonds4

About 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine

1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine (PubChem CID 79187627) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
PubChem CID79187627
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-7-14(8-10(9)2)18(15,16)12-5-4-11(17-12)6-13-3/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyGNBGCGADDKFOEI-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 79187616
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087833
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-2-amine
CID 66371891
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187058
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 66371890
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 114414158
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine
CID 79187205

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine (CID 79187627) is 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine is CNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)s1.
What is the InChIKey of 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is GNBGCGADDKFOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-7-14(8-10(9)2)18(15,16)12-5-4-11(17-12)6-13-3/h4-5,9-10,13H,6-8H2,1-3H3.
What are the key properties of 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 288.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 79187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).