[methyl(sulfinatocarbamoyl)amino]ethane

C4H9N2O3S- — CID 163554716

IUPAC[methyl(sulfinatocarbamoyl)amino]ethane
SMILESCCN(C)C(=O)NS(=O)[O-]
InChIInChI=1S/C4H10N2O3S/c1-3-6(2)4(7)5-10(8)9/h3H2,1-2H3,(H,5,7)(H,8,9)/p-1
InChIKeyIVNOTUUTHOMGIG-UHFFFAOYSA-M
MW165.19 g/mol
LogP-0.56
Rot. Bonds2

About [methyl(sulfinatocarbamoyl)amino]ethane

[methyl(sulfinatocarbamoyl)amino]ethane (PubChem CID 163554716) has the molecular formula C4H9N2O3S- and a molecular weight of 165.19 g/mol. Its IUPAC name is [methyl(sulfinatocarbamoyl)amino]ethane.

Molecular Properties

Compound Name[methyl(sulfinatocarbamoyl)amino]ethane
PubChem CID163554716
Molecular FormulaC4H9N2O3S-
Molecular Weight165.19 g/mol
Exact Mass165.03
IUPAC Name[methyl(sulfinatocarbamoyl)amino]ethane
SMILESCCN(C)C(=O)NS(=O)[O-]
InChIInChI=1S/C4H10N2O3S/c1-3-6(2)4(7)5-10(8)9/h3H2,1-2H3,(H,5,7)(H,8,9)/p-1
InChIKeyIVNOTUUTHOMGIG-UHFFFAOYSA-M
XLogP-0.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-ethyl-1-methylurea
CID 43263702
1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
N-ethyl-3-[[ethyl(methyl)carbamoyl]amino]propanamide
CID 116657785
3-(cyanomethyl)-1-ethyl-1-methylurea
CID 79160219
2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
CID 43243232
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850
1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 79159397
[[ethyl(methyl)carbamoyl]amino] formate
CID 162223401
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
[ethyl-(sulfinatoamino)amino]ethane
CID 57171552
methoxy-oxo-(sulfinatoamino)methane
CID 57095260

Frequently Asked Questions

What is the IUPAC name of [methyl(sulfinatocarbamoyl)amino]ethane?
The IUPAC name of [methyl(sulfinatocarbamoyl)amino]ethane (CID 163554716) is [methyl(sulfinatocarbamoyl)amino]ethane.
What is the SMILES notation for [methyl(sulfinatocarbamoyl)amino]ethane?
The canonical SMILES for [methyl(sulfinatocarbamoyl)amino]ethane is CCN(C)C(=O)NS(=O)[O-].
What is the InChIKey of [methyl(sulfinatocarbamoyl)amino]ethane?
The InChIKey is IVNOTUUTHOMGIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O3S/c1-3-6(2)4(7)5-10(8)9/h3H2,1-2H3,(H,5,7)(H,8,9)/p-1.
What are the key properties of [methyl(sulfinatocarbamoyl)amino]ethane?
[methyl(sulfinatocarbamoyl)amino]ethane has a molecular weight of 165.19 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfinatocarbamoyl)amino]ethane is sourced from PubChem (CID 163554716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).