4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide

C13H23N3O2S2 — CID 106094784

IUPAC4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCC2CCCN2C)cc1C
InChIInChI=1S/C13H23N3O2S2/c1-10-7-13(19-12(10)9-14-2)20(17,18)15-8-11-5-4-6-16(11)3/h7,11,14-15H,4-6,8-9H2,1-3H3
InChIKeyCCJNUNXCJJBHKR-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.15
Rot. Bonds6

About 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide

4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106094784) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106094784
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCC2CCCN2C)cc1C
InChIInChI=1S/C13H23N3O2S2/c1-10-7-13(19-12(10)9-14-2)20(17,18)15-8-11-5-4-6-16(11)3/h7,11,14-15H,4-6,8-9H2,1-3H3
InChIKeyCCJNUNXCJJBHKR-UHFFFAOYSA-N
XLogP1.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106022534
5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 114137985
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094827
N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83044541
2-bromo-5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 106022593
5-fluoro-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094809
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840
N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103504278
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106094791
1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094042
4-cyano-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106833161

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide (CID 106094784) is 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NCC2CCCN2C)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is CCJNUNXCJJBHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-10-7-13(19-12(10)9-14-2)20(17,18)15-8-11-5-4-6-16(11)3/h7,11,14-15H,4-6,8-9H2,1-3H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106094784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).