4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane

C11H25N3O2S2 — CID 106084544

IUPAC4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
SMILESCCNCCCN(C)S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C11H25N3O2S2/c1-3-12-7-4-8-14(2)18(15,16)13-11-5-9-17-10-6-11/h11-13H,3-10H2,1-2H3
InChIKeyYTZRDQKZLSPCCG-UHFFFAOYSA-N
MW295.47 g/mol
LogP0.65
Rot. Bonds8

About 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane

4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane (PubChem CID 106084544) has the molecular formula C11H25N3O2S2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane.

Molecular Properties

Compound Name4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
PubChem CID106084544
Molecular FormulaC11H25N3O2S2
Molecular Weight295.47 g/mol
Exact Mass295.14
IUPAC Name4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
SMILESCCNCCCN(C)S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C11H25N3O2S2/c1-3-12-7-4-8-14(2)18(15,16)13-11-5-9-17-10-6-11/h11-13H,3-10H2,1-2H3
InChIKeyYTZRDQKZLSPCCG-UHFFFAOYSA-N
XLogP0.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 50.65
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

[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 106074034
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
CID 114112535
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
CID 106084518

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane?
The IUPAC name of 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane (CID 106084544) is 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane.
What is the SMILES notation for 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane?
The canonical SMILES for 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane is CCNCCCN(C)S(=O)(=O)NC1CCSCC1.
What is the InChIKey of 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane?
The InChIKey is YTZRDQKZLSPCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S2/c1-3-12-7-4-8-14(2)18(15,16)13-11-5-9-17-10-6-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane?
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane has a molecular weight of 295.47 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane is sourced from PubChem (CID 106084544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).