N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide

C12H19N3O3S2 — CID 119651771

IUPACN-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
SMILESCNCC1CCCN1C(=O)c1cc(S(=O)(=O)NC)cs1
InChIInChI=1S/C12H19N3O3S2/c1-13-7-9-4-3-5-15(9)12(16)11-6-10(8-19-11)20(17,18)14-2/h6,8-9,13-14H,3-5,7H2,1-2H3
InChIKeyPYLSSZWGFUAFKQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.48
Rot. Bonds5

About N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide

N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide (PubChem CID 119651771) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
PubChem CID119651771
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
SMILESCNCC1CCCN1C(=O)c1cc(S(=O)(=O)NC)cs1
InChIInChI=1S/C12H19N3O3S2/c1-13-7-9-4-3-5-15(9)12(16)11-6-10(8-19-11)20(17,18)14-2/h6,8-9,13-14H,3-5,7H2,1-2H3
InChIKeyPYLSSZWGFUAFKQ-UHFFFAOYSA-N
XLogP0.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 124595434
5-[(2S,6R)-2,6-dimethylazepane-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 96527844
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807648
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 119652152
N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482039
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 81485187
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
(4,5-dibromothiophen-2-yl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 80537519
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide?
The IUPAC name of N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide (CID 119651771) is N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide?
The canonical SMILES for N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide is CNCC1CCCN1C(=O)c1cc(S(=O)(=O)NC)cs1.
What is the InChIKey of N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide?
The InChIKey is PYLSSZWGFUAFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-13-7-9-4-3-5-15(9)12(16)11-6-10(8-19-11)20(17,18)14-2/h6,8-9,13-14H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide?
N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide is sourced from PubChem (CID 119651771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).