(2-methoxyethylsulfonylamino)thiourea

C4H11N3O3S2 — CID 65214468

IUPAC(2-methoxyethylsulfonylamino)thiourea
SMILESCOCCS(=O)(=O)NNC(N)=S
InChIInChI=1S/C4H11N3O3S2/c1-10-2-3-12(8,9)7-6-4(5)11/h7H,2-3H2,1H3,(H3,5,6,11)
InChIKeyLAVZZPPHKBAOKN-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.70
Rot. Bonds5

About (2-methoxyethylsulfonylamino)thiourea

(2-methoxyethylsulfonylamino)thiourea (PubChem CID 65214468) has the molecular formula C4H11N3O3S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2-methoxyethylsulfonylamino)thiourea.

Molecular Properties

Compound Name(2-methoxyethylsulfonylamino)thiourea
PubChem CID65214468
Molecular FormulaC4H11N3O3S2
Molecular Weight213.28 g/mol
Exact Mass213.02
IUPAC Name(2-methoxyethylsulfonylamino)thiourea
SMILESCOCCS(=O)(=O)NNC(N)=S
InChIInChI=1S/C4H11N3O3S2/c1-10-2-3-12(8,9)7-6-4(5)11/h7H,2-3H2,1H3,(H3,5,6,11)
InChIKeyLAVZZPPHKBAOKN-UHFFFAOYSA-N
XLogP-1.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-methoxyethylsulfonylamino)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
CID 55014070
2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
CID 55014069
2-methoxy-N-methylethanesulfonamide;molecular hydrogen
CID 176928955
(5-methoxypentylamino)thiourea
CID 140886887
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299
N-ethoxy-2-methoxyethanesulfonamide
CID 64973778
methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
CID 55014263
methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
CID 103493525
3-(3-methoxypropylsulfonylamino)pentanethioamide
CID 63290053
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
2-methoxyethanesulfonamide;hydrofluoride
CID 18951505

Frequently Asked Questions

What is the IUPAC name of (2-methoxyethylsulfonylamino)thiourea?
The IUPAC name of (2-methoxyethylsulfonylamino)thiourea (CID 65214468) is (2-methoxyethylsulfonylamino)thiourea.
What is the SMILES notation for (2-methoxyethylsulfonylamino)thiourea?
The canonical SMILES for (2-methoxyethylsulfonylamino)thiourea is COCCS(=O)(=O)NNC(N)=S.
What is the InChIKey of (2-methoxyethylsulfonylamino)thiourea?
The InChIKey is LAVZZPPHKBAOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O3S2/c1-10-2-3-12(8,9)7-6-4(5)11/h7H,2-3H2,1H3,(H3,5,6,11).
What are the key properties of (2-methoxyethylsulfonylamino)thiourea?
(2-methoxyethylsulfonylamino)thiourea has a molecular weight of 213.28 g/mol, XLogP of -1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyethylsulfonylamino)thiourea is sourced from PubChem (CID 65214468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).