3-(2-methoxyethylsulfamoylamino)pentanethioamide

C8H19N3O3S2 — CID 114815267

IUPAC3-(2-methoxyethylsulfamoylamino)pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)NCCOC
InChIInChI=1S/C8H19N3O3S2/c1-3-7(6-8(9)15)11-16(12,13)10-4-5-14-2/h7,10-11H,3-6H2,1-2H3,(H2,9,15)
InChIKeyIACRSEJVHAKBBG-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.49
Rot. Bonds9

About 3-(2-methoxyethylsulfamoylamino)pentanethioamide

3-(2-methoxyethylsulfamoylamino)pentanethioamide (PubChem CID 114815267) has the molecular formula C8H19N3O3S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoylamino)pentanethioamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoylamino)pentanethioamide
PubChem CID114815267
Molecular FormulaC8H19N3O3S2
Molecular Weight269.39 g/mol
Exact Mass269.09
IUPAC Name3-(2-methoxyethylsulfamoylamino)pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)NCCOC
InChIInChI=1S/C8H19N3O3S2/c1-3-7(6-8(9)15)11-16(12,13)10-4-5-14-2/h7,10-11H,3-6H2,1-2H3,(H2,9,15)
InChIKeyIACRSEJVHAKBBG-UHFFFAOYSA-N
XLogP-0.49
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylsulfonylamino)pentanethioamide
CID 63290053
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
3-(3-methylbutylsulfonylamino)pentanethioamide
CID 63858030
2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide
CID 114815221
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
CID 114816081
2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
CID 114814837
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoylamino)pentanethioamide?
The IUPAC name of 3-(2-methoxyethylsulfamoylamino)pentanethioamide (CID 114815267) is 3-(2-methoxyethylsulfamoylamino)pentanethioamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoylamino)pentanethioamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoylamino)pentanethioamide is CCC(CC(N)=S)NS(=O)(=O)NCCOC.
What is the InChIKey of 3-(2-methoxyethylsulfamoylamino)pentanethioamide?
The InChIKey is IACRSEJVHAKBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S2/c1-3-7(6-8(9)15)11-16(12,13)10-4-5-14-2/h7,10-11H,3-6H2,1-2H3,(H2,9,15).
What are the key properties of 3-(2-methoxyethylsulfamoylamino)pentanethioamide?
3-(2-methoxyethylsulfamoylamino)pentanethioamide has a molecular weight of 269.39 g/mol, XLogP of -0.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoylamino)pentanethioamide is sourced from PubChem (CID 114815267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).