1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine

C13H22N2O2S2 — CID 102754265

IUPAC1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1scc(C)c1S(=O)(=O)N1CC(C)C(C)C1
InChIInChI=1S/C13H22N2O2S2/c1-9-6-15(7-10(9)2)19(16,17)13-11(3)8-18-12(13)5-14-4/h8-10,14H,5-7H2,1-4H3
InChIKeyDFQNADPBXQECNP-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.05
Rot. Bonds4

About 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine

1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 102754265) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID102754265
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1scc(C)c1S(=O)(=O)N1CC(C)C(C)C1
InChIInChI=1S/C13H22N2O2S2/c1-9-6-15(7-10(9)2)19(16,17)13-11(3)8-18-12(13)5-14-4/h8-10,14H,5-7H2,1-4H3
InChIKeyDFQNADPBXQECNP-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102751087
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102753806
N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
CID 102753824
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102750926
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187058
N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106060252
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754929
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine (CID 102754265) is 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine is CNCc1scc(C)c1S(=O)(=O)N1CC(C)C(C)C1.
What is the InChIKey of 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is DFQNADPBXQECNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-9-6-15(7-10(9)2)19(16,17)13-11(3)8-18-12(13)5-14-4/h8-10,14H,5-7H2,1-4H3.
What are the key properties of 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine?
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 302.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 102754265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).