2-[methyl(sulfanyl)amino]ethanesulfinic acid

C3H9NO2S2 — CID 123921217

IUPAC2-[methyl(sulfanyl)amino]ethanesulfinic acid
SMILESCN(S)CCS(=O)O
InChIInChI=1S/C3H9NO2S2/c1-4(7)2-3-8(5)6/h7H,2-3H2,1H3,(H,5,6)
InChIKeyHIWSJWAUMDUDCI-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.02
Rot. Bonds3

About 2-[methyl(sulfanyl)amino]ethanesulfinic acid

2-[methyl(sulfanyl)amino]ethanesulfinic acid (PubChem CID 123921217) has the molecular formula C3H9NO2S2 and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[methyl(sulfanyl)amino]ethanesulfinic acid.

Molecular Properties

Compound Name2-[methyl(sulfanyl)amino]ethanesulfinic acid
PubChem CID123921217
Molecular FormulaC3H9NO2S2
Molecular Weight155.24 g/mol
Exact Mass155.01
IUPAC Name2-[methyl(sulfanyl)amino]ethanesulfinic acid
SMILESCN(S)CCS(=O)O
InChIInChI=1S/C3H9NO2S2/c1-4(7)2-3-8(5)6/h7H,2-3H2,1H3,(H,5,6)
InChIKeyHIWSJWAUMDUDCI-UHFFFAOYSA-N
XLogP-0.02
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[methyl(sulfanyl)amino]ethanesulfinic acid 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

ethane-1,2-disulfinic acid
CID 15180980
2-[hydroxy(propan-2-yl)amino]ethanesulfinic acid
CID 23382885
N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine
CID 89419803
[[methyl(sulfino)amino]-sulfinoamino]methane
CID 23174157
4-sulfanylbutane-1-sulfinic acid
CID 12725657
2-[[(Z)-hexadec-9-enoyl]-methylamino]ethanesulfinic acid
CID 139527895
2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium
CID 21337322
pentadecane-1-sulfinic acid
CID 20739365
2-fluoroethanesulfinic acid;yttrium
CID 59841318
sodium ethanesulfinic acid
CID 19960758
3-chloro-3,3-difluoropropane-1-sulfinic acid
CID 165450263
carbanide;3-methylbutane-1-sulfinic acid;yttrium
CID 20602902

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(sulfanyl)amino]ethanesulfinic acid?
The IUPAC name of 2-[methyl(sulfanyl)amino]ethanesulfinic acid (CID 123921217) is 2-[methyl(sulfanyl)amino]ethanesulfinic acid.
What is the SMILES notation for 2-[methyl(sulfanyl)amino]ethanesulfinic acid?
The canonical SMILES for 2-[methyl(sulfanyl)amino]ethanesulfinic acid is CN(S)CCS(=O)O.
What is the InChIKey of 2-[methyl(sulfanyl)amino]ethanesulfinic acid?
The InChIKey is HIWSJWAUMDUDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S2/c1-4(7)2-3-8(5)6/h7H,2-3H2,1H3,(H,5,6).
What are the key properties of 2-[methyl(sulfanyl)amino]ethanesulfinic acid?
2-[methyl(sulfanyl)amino]ethanesulfinic acid has a molecular weight of 155.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(sulfanyl)amino]ethanesulfinic acid is sourced from PubChem (CID 123921217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).