3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane

C11H25N3O4S2 — CID 106016855

IUPAC3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane
SMILESCCNCCCN(C)S(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C11H25N3O4S2/c1-3-12-6-4-7-14(2)20(17,18)13-9-11-5-8-19(15,16)10-11/h11-13H,3-10H2,1-2H3
InChIKeyFAKMTNPHZSPKOF-UHFFFAOYSA-N
MW327.47 g/mol
LogP-0.81
Rot. Bonds9

About 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane

3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane (PubChem CID 106016855) has the molecular formula C11H25N3O4S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane.

Molecular Properties

Compound Name3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane
PubChem CID106016855
Molecular FormulaC11H25N3O4S2
Molecular Weight327.47 g/mol
Exact Mass327.13
IUPAC Name3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane
SMILESCCNCCCN(C)S(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C11H25N3O4S2/c1-3-12-6-4-7-14(2)20(17,18)13-9-11-5-8-19(15,16)10-11/h11-13H,3-10H2,1-2H3
InChIKeyFAKMTNPHZSPKOF-UHFFFAOYSA-N
XLogP-0.81
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
CID 106066888
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
N-[(1,1-dioxothiolan-3-yl)methyl]pentan-1-amine
CID 61058510
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 62131099
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]propane-1-sulfonamide
CID 61057903
1-butyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-methylurea
CID 110706112

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane?
The IUPAC name of 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane (CID 106016855) is 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane.
What is the SMILES notation for 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane?
The canonical SMILES for 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane is CCNCCCN(C)S(=O)(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane?
The InChIKey is FAKMTNPHZSPKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4S2/c1-3-12-6-4-7-14(2)20(17,18)13-9-11-5-8-19(15,16)10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane?
3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane has a molecular weight of 327.47 g/mol, XLogP of -0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane is sourced from PubChem (CID 106016855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).