4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide

C14H25N3O2S2 — CID 106050910

IUPAC4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC(C)CN1CCCC1
InChIInChI=1S/C14H25N3O2S2/c1-11-10-20-13(8-15-3)14(11)21(18,19)16-12(2)9-17-6-4-5-7-17/h10,12,15-16H,4-9H2,1-3H3
InChIKeyMLJIBLFBXPUPPN-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.54
Rot. Bonds7

About 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide (PubChem CID 106050910) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
PubChem CID106050910
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC(C)CN1CCCC1
InChIInChI=1S/C14H25N3O2S2/c1-11-10-20-13(8-15-3)14(11)21(18,19)16-12(2)9-17-6-4-5-7-17/h10,12,15-16H,4-9H2,1-3H3
InChIKeyMLJIBLFBXPUPPN-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 102752631
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
CID 106050953
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050209
5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 106050950
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide (CID 106050910) is 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NC(C)CN1CCCC1.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide?
The InChIKey is MLJIBLFBXPUPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-11-10-20-13(8-15-3)14(11)21(18,19)16-12(2)9-17-6-4-5-7-17/h10,12,15-16H,4-9H2,1-3H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106050910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).