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

C11H27N3O2S2 — CID 112667469

IUPACN-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCCNCCCN(C)S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C11H27N3O2S2/c1-6-12-8-7-9-13(3)18(15,16)14(4)11(2)10-17-5/h11-12H,6-10H2,1-5H3
InChIKeyYTSRDNIMQKJUAP-UHFFFAOYSA-N
MW297.49 g/mol
LogP0.85
Rot. Bonds10

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

N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine (PubChem CID 112667469) has the molecular formula C11H27N3O2S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
PubChem CID112667469
Molecular FormulaC11H27N3O2S2
Molecular Weight297.49 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCCNCCCN(C)S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C11H27N3O2S2/c1-6-12-8-7-9-13(3)18(15,16)14(4)11(2)10-17-5/h11-12H,6-10H2,1-5H3
InChIKeyYTSRDNIMQKJUAP-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667401
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667380
N-ethyl-N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79489693
N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
CID 102998612
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
CID 102701547
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene
CID 106000708
2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988643
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
CID 114112535

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine (CID 112667469) is N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine is CCNCCCN(C)S(=O)(=O)N(C)C(C)CSC.
What is the InChIKey of N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The InChIKey is YTSRDNIMQKJUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S2/c1-6-12-8-7-9-13(3)18(15,16)14(4)11(2)10-17-5/h11-12H,6-10H2,1-5H3.
What are the key properties of N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine has a molecular weight of 297.49 g/mol, XLogP of 0.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 112667469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).