2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide

C9H20N2O4S2 — CID 113467768

IUPAC2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)N(CCO)CCOC
InChIInChI=1S/C9H20N2O4S2/c1-3-8(9(10)16)17(13,14)11(4-6-12)5-7-15-2/h8,12H,3-7H2,1-2H3,(H2,10,16)
InChIKeyZZFUNFJCFFAMGR-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.68
Rot. Bonds9

About 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide

2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide (PubChem CID 113467768) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide
PubChem CID113467768
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC Name2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)N(CCO)CCOC
InChIInChI=1S/C9H20N2O4S2/c1-3-8(9(10)16)17(13,14)11(4-6-12)5-7-15-2/h8,12H,3-7H2,1-2H3,(H2,10,16)
InChIKeyZZFUNFJCFFAMGR-UHFFFAOYSA-N
XLogP-0.68
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-Difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide
CID 107479810
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide
CID 107479818
4-amino-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
CID 54952670
2-amino-N-butyl-N-(2-hydroxyethyl)ethanesulfonamide
CID 61446866
3-amino-N-butyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 61446896
4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
CID 61456652
4-amino-N-butyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 61456654
4-amino-N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 61456912
4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 61456915
3-[2-Methoxyethyl(propan-2-ylsulfonyl)amino]propanethioamide
CID 63285056
3-[2-Methoxyethyl(propylsulfonyl)amino]propanethioamide
CID 63285097
3-[Butylsulfonyl(2-methoxyethyl)amino]propanethioamide
CID 63285099

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide?
The IUPAC name of 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide (CID 113467768) is 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide?
The canonical SMILES for 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide is CCC(C(N)=S)S(=O)(=O)N(CCO)CCOC.
What is the InChIKey of 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide?
The InChIKey is ZZFUNFJCFFAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-3-8(9(10)16)17(13,14)11(4-6-12)5-7-15-2/h8,12H,3-7H2,1-2H3,(H2,10,16).
What are the key properties of 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide?
2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide has a molecular weight of 284.40 g/mol, XLogP of -0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]butanethioamide is sourced from PubChem (CID 113467768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).