2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide

C9H20N2O3S2 — CID 104761749

IUPAC2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C9H20N2O3S2/c1-4-8(9(10)15)16(12,13)11-5-6-14-7(2)3/h7-8,11H,4-6H2,1-3H3,(H2,10,15)
InChIKeyDUTVHFFZLSGQRY-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.40
Rot. Bonds8

About 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide

2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide (PubChem CID 104761749) has the molecular formula C9H20N2O3S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide
PubChem CID104761749
Molecular FormulaC9H20N2O3S2
Molecular Weight268.40 g/mol
Exact Mass268.09
IUPAC Name2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C9H20N2O3S2/c1-4-8(9(10)15)16(12,13)11-5-6-14-7(2)3/h7-8,11H,4-6H2,1-3H3,(H2,10,15)
InChIKeyDUTVHFFZLSGQRY-UHFFFAOYSA-N
XLogP0.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
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

1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide
CID 104759940
2-(7-methyloctylsulfamoyl)butanethioamide
CID 107815257
2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761678
2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide
CID 106261341
2-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]butanethioamide
CID 114515833
1-amino-1-sulfanylidenebutane-2-sulfonic acid
CID 151185934
2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104761692
4-(2-propan-2-yloxyethylsulfonylamino)butanethioamide
CID 79593867
2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide
CID 114113863
2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide
CID 114125521
2-methyl-4-(2-propan-2-yloxyethylsulfamoyl)benzenecarbothioamide
CID 106920339
2-propan-2-yloxyethylurea
CID 22179539

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide?
The IUPAC name of 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide (CID 104761749) is 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide.
What is the SMILES notation for 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide?
The canonical SMILES for 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide is CCC(C(N)=S)S(=O)(=O)NCCOC(C)C.
What is the InChIKey of 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide?
The InChIKey is DUTVHFFZLSGQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S2/c1-4-8(9(10)15)16(12,13)11-5-6-14-7(2)3/h7-8,11H,4-6H2,1-3H3,(H2,10,15).
What are the key properties of 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide?
2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide has a molecular weight of 268.40 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide is sourced from PubChem (CID 104761749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).