2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide

C9H21N3O2S2 — CID 102993369

IUPAC2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide
SMILESCCN(CCCN(C)C)S(=O)(=O)CC(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-4-12(7-5-6-11(2)3)16(13,14)8-9(10)15/h4-8H2,1-3H3,(H2,10,15)
InChIKeyJEIREBPJUZEOEW-UHFFFAOYSA-N
MW267.42 g/mol
LogP-0.12
Rot. Bonds8

About 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide

2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide (PubChem CID 102993369) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide
PubChem CID102993369
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide
SMILESCCN(CCCN(C)C)S(=O)(=O)CC(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-4-12(7-5-6-11(2)3)16(13,14)8-9(10)15/h4-8H2,1-3H3,(H2,10,15)
InChIKeyJEIREBPJUZEOEW-UHFFFAOYSA-N
XLogP-0.12
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
CID 102992224
N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 102998608
3-[[3-(dimethylamino)propyl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 102998470
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
4-(dimethylamino)butanethioamide;hydrochloride
CID 18941076
methyl 4-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]butanoate
CID 54992633
3-[3-(dimethylamino)propyl-ethylamino]pentanethioamide
CID 102993455
methyl 3-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]propanoate
CID 54992634
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide
CID 102998518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide (CID 102993369) is 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide is CCN(CCCN(C)C)S(=O)(=O)CC(N)=S.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide?
The InChIKey is JEIREBPJUZEOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-4-12(7-5-6-11(2)3)16(13,14)8-9(10)15/h4-8H2,1-3H3,(H2,10,15).
What are the key properties of 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide?
2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide has a molecular weight of 267.42 g/mol, XLogP of -0.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide is sourced from PubChem (CID 102993369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).