N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine

C12H23N3O2S2 — CID 79487562

IUPACN'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H23N3O2S2/c1-11(10-12-6-4-9-18-12)15(3)19(16,17)14(2)8-5-7-13/h4,6,9,11H,5,7-8,10,13H2,1-3H3
InChIKeyBECKPXUUPDVRRF-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.14
Rot. Bonds8

About N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine

N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine (PubChem CID 79487562) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
PubChem CID79487562
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC NameN'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H23N3O2S2/c1-11(10-12-6-4-9-18-12)15(3)19(16,17)14(2)8-5-7-13/h4,6,9,11H,5,7-8,10,13H2,1-3H3
InChIKeyBECKPXUUPDVRRF-UHFFFAOYSA-N
XLogP1.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79489693
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
CID 79471332
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
1-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propane-2-sulfonamide
CID 79487473
2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488959

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine (CID 79487562) is N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine is CC(Cc1cccs1)N(C)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The InChIKey is BECKPXUUPDVRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-11(10-12-6-4-9-18-12)15(3)19(16,17)14(2)8-5-7-13/h4,6,9,11H,5,7-8,10,13H2,1-3H3.
What are the key properties of N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine has a molecular weight of 305.47 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 79487562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).