3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide

C10H21N3O4S2 — CID 63285308

IUPAC3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H21N3O4S2/c1-16-7-4-12(3-2-10(11)18)19(14,15)13-5-8-17-9-6-13/h2-9H2,1H3,(H2,11,18)
InChIKeyUFYQGDJPCUAGGO-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.81
Rot. Bonds8

About 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide

3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide (PubChem CID 63285308) has the molecular formula C10H21N3O4S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide
PubChem CID63285308
Molecular FormulaC10H21N3O4S2
Molecular Weight311.43 g/mol
Exact Mass311.10
IUPAC Name3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H21N3O4S2/c1-16-7-4-12(3-2-10(11)18)19(14,15)13-5-8-17-9-6-13/h2-9H2,1H3,(H2,11,18)
InChIKeyUFYQGDJPCUAGGO-UHFFFAOYSA-N
XLogP-0.81
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 63285443
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
4-morpholin-4-ylsulfonyl-N,N-dipropylpiperazine-1-sulfonamide
CID 55627166
2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54969399
3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide
CID 104709936
3-[(1,1-dioxothian-4-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
CID 63287722
N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide
CID 63396894
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 76993942
3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
CID 63285533
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 55173259
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide?
The IUPAC name of 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide (CID 63285308) is 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide.
What is the SMILES notation for 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide?
The canonical SMILES for 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide is COCCN(CCC(N)=S)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide?
The InChIKey is UFYQGDJPCUAGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S2/c1-16-7-4-12(3-2-10(11)18)19(14,15)13-5-8-17-9-6-13/h2-9H2,1H3,(H2,11,18).
What are the key properties of 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide?
3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide has a molecular weight of 311.43 g/mol, XLogP of -0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide is sourced from PubChem (CID 63285308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).