2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene

C12H23N3O2S2 — CID 106053430

IUPAC2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene
SMILESCCC(NS(=O)(=O)N(C)CCCNC)c1cccs1
InChIInChI=1S/C12H23N3O2S2/c1-4-11(12-7-5-10-18-12)14-19(16,17)15(3)9-6-8-13-2/h5,7,10-11,13-14H,4,6,8-9H2,1-3H3
InChIKeyHTTRJSFFSSWAOR-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.57
Rot. Bonds9

About 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene

2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene (PubChem CID 106053430) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene.

Molecular Properties

Compound Name2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene
PubChem CID106053430
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene
SMILESCCC(NS(=O)(=O)N(C)CCCNC)c1cccs1
InChIInChI=1S/C12H23N3O2S2/c1-4-11(12-7-5-10-18-12)14-19(16,17)15(3)9-6-8-13-2/h5,7,10-11,13-14H,4,6,8-9H2,1-3H3
InChIKeyHTTRJSFFSSWAOR-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.57
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

N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 106053458
5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 106053416
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106031702
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
CID 106053436
3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 106053446
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene?
The IUPAC name of 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene (CID 106053430) is 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene.
What is the SMILES notation for 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene?
The canonical SMILES for 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene is CCC(NS(=O)(=O)N(C)CCCNC)c1cccs1.
What is the InChIKey of 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene?
The InChIKey is HTTRJSFFSSWAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-4-11(12-7-5-10-18-12)14-19(16,17)15(3)9-6-8-13-2/h5,7,10-11,13-14H,4,6,8-9H2,1-3H3.
What are the key properties of 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene?
2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene has a molecular weight of 305.47 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene is sourced from PubChem (CID 106053430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).