methyl N'-ethylsulfonylcarbamimidothioate

C4H10N2O2S2 — CID 154042455

IUPACmethyl N'-ethylsulfonylcarbamimidothioate
SMILESCCS(=O)(=O)N=C(N)SC
InChIInChI=1S/C4H10N2O2S2/c1-3-10(7,8)6-4(5)9-2/h3H2,1-2H3,(H2,5,6)
InChIKeyDLUGQOAVNGOAOJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.01
Rot. Bonds2

About methyl N'-ethylsulfonylcarbamimidothioate

methyl N'-ethylsulfonylcarbamimidothioate (PubChem CID 154042455) has the molecular formula C4H10N2O2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is methyl N'-ethylsulfonylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-ethylsulfonylcarbamimidothioate
PubChem CID154042455
Molecular FormulaC4H10N2O2S2
Molecular Weight182.27 g/mol
Exact Mass182.02
IUPAC Namemethyl N'-ethylsulfonylcarbamimidothioate
SMILESCCS(=O)(=O)N=C(N)SC
InChIInChI=1S/C4H10N2O2S2/c1-3-10(7,8)6-4(5)9-2/h3H2,1-2H3,(H2,5,6)
InChIKeyDLUGQOAVNGOAOJ-UHFFFAOYSA-N
XLogP0.01
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Butylsulfonylguanidine
CID 129801686
2-(Ethylsulfonyl)ethyl carbamimidothioate
CID 5164937
methyl N'-propylsulfonylcarbamimidothioate
CID 20481965
N-(Ethanesulfonyl)guanidine
CID 46256414
methyl N'-propylsulfonylcarbamimidothioate
CID 57112087
N-carbamimidoylpropane-2-sulfonamide
CID 57589885
2-Pentylsulfonylguanidine
CID 87966228
2-Pentan-2-ylsulfonylguanidine
CID 163517914
methyl N'-pentylsulfonylcarbamimidothioate
CID 173039324
1-Ethylsulfonyl-1,3,4-thiadiazol-1-ium-2-amine
CID 177734730
2-(Methylsulfonyl)ethyl carbamimidothioate
CID 3799956
2-methylsulfonylethyl N'-aminocarbamimidothioate
CID 77060043

Frequently Asked Questions

What is the IUPAC name of methyl N'-ethylsulfonylcarbamimidothioate?
The IUPAC name of methyl N'-ethylsulfonylcarbamimidothioate (CID 154042455) is methyl N'-ethylsulfonylcarbamimidothioate.
What is the SMILES notation for methyl N'-ethylsulfonylcarbamimidothioate?
The canonical SMILES for methyl N'-ethylsulfonylcarbamimidothioate is CCS(=O)(=O)N=C(N)SC.
What is the InChIKey of methyl N'-ethylsulfonylcarbamimidothioate?
The InChIKey is DLUGQOAVNGOAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S2/c1-3-10(7,8)6-4(5)9-2/h3H2,1-2H3,(H2,5,6).
What are the key properties of methyl N'-ethylsulfonylcarbamimidothioate?
methyl N'-ethylsulfonylcarbamimidothioate has a molecular weight of 182.27 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-ethylsulfonylcarbamimidothioate is sourced from PubChem (CID 154042455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).