2-[[methyl(sulfinato)amino]methyl]furan

C6H8NO3S- — CID 57032759

IUPAC2-[[methyl(sulfinato)amino]methyl]furan
SMILESCN(Cc1ccco1)S(=O)[O-]
InChIInChI=1S/C6H9NO3S/c1-7(11(8)9)5-6-3-2-4-10-6/h2-4H,5H2,1H3,(H,8,9)/p-1
InChIKeyIMTZHIFVZWKKJO-UHFFFAOYSA-M
MW174.20 g/mol
LogP0.51
Rot. Bonds3

About 2-[[methyl(sulfinato)amino]methyl]furan

2-[[methyl(sulfinato)amino]methyl]furan (PubChem CID 57032759) has the molecular formula C6H8NO3S- and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[[methyl(sulfinato)amino]methyl]furan.

Molecular Properties

Compound Name2-[[methyl(sulfinato)amino]methyl]furan
PubChem CID57032759
Molecular FormulaC6H8NO3S-
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Name2-[[methyl(sulfinato)amino]methyl]furan
SMILESCN(Cc1ccco1)S(=O)[O-]
InChIInChI=1S/C6H9NO3S/c1-7(11(8)9)5-6-3-2-4-10-6/h2-4H,5H2,1H3,(H,8,9)/p-1
InChIKeyIMTZHIFVZWKKJO-UHFFFAOYSA-M
XLogP0.51
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
2-[[(S)-methylsulfinyl]methyl]furan
CID 119098303
furan-2-ylmethanethiol;methylsulfinylmethane
CID 174344975
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(sulfinato)amino]methyl]furan?
The IUPAC name of 2-[[methyl(sulfinato)amino]methyl]furan (CID 57032759) is 2-[[methyl(sulfinato)amino]methyl]furan.
What is the SMILES notation for 2-[[methyl(sulfinato)amino]methyl]furan?
The canonical SMILES for 2-[[methyl(sulfinato)amino]methyl]furan is CN(Cc1ccco1)S(=O)[O-].
What is the InChIKey of 2-[[methyl(sulfinato)amino]methyl]furan?
The InChIKey is IMTZHIFVZWKKJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO3S/c1-7(11(8)9)5-6-3-2-4-10-6/h2-4H,5H2,1H3,(H,8,9)/p-1.
What are the key properties of 2-[[methyl(sulfinato)amino]methyl]furan?
2-[[methyl(sulfinato)amino]methyl]furan has a molecular weight of 174.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(sulfinato)amino]methyl]furan is sourced from PubChem (CID 57032759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).