N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide

C14H25N3O2S2 — CID 79308817

IUPACN-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)N(C)CC2CCCN2C)s1
InChIInChI=1S/C14H25N3O2S2/c1-15-9-8-13-6-7-14(20-13)21(18,19)17(3)11-12-5-4-10-16(12)2/h6-7,12,15H,4-5,8-11H2,1-3H3
InChIKeyAZGNSMUKZVWJIF-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.22
Rot. Bonds7

About N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide

N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 79308817) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID79308817
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)N(C)CC2CCCN2C)s1
InChIInChI=1S/C14H25N3O2S2/c1-15-9-8-13-6-7-14(20-13)21(18,19)17(3)11-12-5-4-10-16(12)2/h6-7,12,15H,4-5,8-11H2,1-3H3
InChIKeyAZGNSMUKZVWJIF-UHFFFAOYSA-N
XLogP1.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxyethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 79318370
2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 128852399
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620
5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 114137985
5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 79317578
5-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 79317908
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106094791
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
3-(chloromethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79308821
2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 103192356

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide (CID 79308817) is N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)N(C)CC2CCCN2C)s1.
What is the InChIKey of N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is AZGNSMUKZVWJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-15-9-8-13-6-7-14(20-13)21(18,19)17(3)11-12-5-4-10-16(12)2/h6-7,12,15H,4-5,8-11H2,1-3H3.
What are the key properties of N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide?
N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(methylamino)ethyl]-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79308817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).