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

C12H20N2O3S2 — CID 106022534

IUPAC5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCN2C)sc1CO
InChIInChI=1S/C12H20N2O3S2/c1-9-6-12(18-11(9)8-15)19(16,17)13-7-10-4-3-5-14(10)2/h6,10,13,15H,3-5,7-8H2,1-2H3
InChIKeyNDNOMSATTCMEIC-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.92
Rot. Bonds5

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

5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106022534) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106022534
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCN2C)sc1CO
InChIInChI=1S/C12H20N2O3S2/c1-9-6-12(18-11(9)8-15)19(16,17)13-7-10-4-3-5-14(10)2/h6,10,13,15H,3-5,7-8H2,1-2H3
InChIKeyNDNOMSATTCMEIC-UHFFFAOYSA-N
XLogP0.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106094784
5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 114137985
2-bromo-5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 106022593
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
3-fluoro-5-(hydroxymethyl)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022630
4-fluoro-3-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022558
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 115409009
4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106024978
4-(2-hydroxyethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022553
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-bromo-2-fluoro-3-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022590
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106094791

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide (CID 106022534) is 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC2CCCN2C)sc1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is NDNOMSATTCMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-6-12(18-11(9)8-15)19(16,17)13-7-10-4-3-5-14(10)2/h6,10,13,15H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106022534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).