2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide

C8H19N3O3S2 — CID 114815221

IUPAC2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)NCCOC)C(N)=S
InChIInChI=1S/C8H19N3O3S2/c1-4-8(2,7(9)15)11-16(12,13)10-5-6-14-3/h10-11H,4-6H2,1-3H3,(H2,9,15)
InChIKeyDPKCSBVTBLEITI-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.49
Rot. Bonds8

About 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide

2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide (PubChem CID 114815221) has the molecular formula C8H19N3O3S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide
PubChem CID114815221
Molecular FormulaC8H19N3O3S2
Molecular Weight269.39 g/mol
Exact Mass269.09
IUPAC Name2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)NCCOC)C(N)=S
InChIInChI=1S/C8H19N3O3S2/c1-4-8(2,7(9)15)11-16(12,13)10-5-6-14-3/h10-11H,4-6H2,1-3H3,(H2,9,15)
InChIKeyDPKCSBVTBLEITI-UHFFFAOYSA-N
XLogP-0.49
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
3-(2-methoxyethylsulfamoylamino)pentanethioamide
CID 114815267
2-(butylsulfonylamino)-2-methylbutanethioamide
CID 61124679
methyl 4-[(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)sulfamoyl]butanoate
CID 54952425
2-ethyl-2-(ethylsulfamoylamino)butanethioamide
CID 114808170
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
CID 114815341
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
CID 104978766
2-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbutanethioamide
CID 61124872
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
CID 106143688

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide?
The IUPAC name of 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide (CID 114815221) is 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide.
What is the SMILES notation for 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide?
The canonical SMILES for 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide is CCC(C)(NS(=O)(=O)NCCOC)C(N)=S.
What is the InChIKey of 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide?
The InChIKey is DPKCSBVTBLEITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S2/c1-4-8(2,7(9)15)11-16(12,13)10-5-6-14-3/h10-11H,4-6H2,1-3H3,(H2,9,15).
What are the key properties of 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide?
2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide has a molecular weight of 269.39 g/mol, XLogP of -0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfamoylamino)-2-methylbutanethioamide is sourced from PubChem (CID 114815221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).