3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide

C11H20N2O2S2 — CID 106053228

IUPAC3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C11H20N2O2S2/c1-10(8-11-4-6-16-9-11)13-17(14,15)7-3-5-12-2/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3
InChIKeyZPXDLBSWBZPUKE-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.21
Rot. Bonds8

About 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide

3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide (PubChem CID 106053228) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide
PubChem CID106053228
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C11H20N2O2S2/c1-10(8-11-4-6-16-9-11)13-17(14,15)7-3-5-12-2/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3
InChIKeyZPXDLBSWBZPUKE-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
CID 106053238
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
3-(propan-2-ylamino)-N-(2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 54972108
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835
5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 81440427

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide (CID 106053228) is 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide is CNCCCS(=O)(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is ZPXDLBSWBZPUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-10(8-11-4-6-16-9-11)13-17(14,15)7-3-5-12-2/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide?
3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 106053228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).