N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide

C12H20N2O3S2 — CID 80725729

IUPACN-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCC2(C)CCCS2)o1
InChIInChI=1S/C12H20N2O3S2/c1-12(6-3-7-18-12)9-14-8-10-4-5-11(17-10)19(15,16)13-2/h4-5,13-14H,3,6-9H2,1-2H3
InChIKeyLBYDDSAICSWULD-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.56
Rot. Bonds6

About N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide

N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide (PubChem CID 80725729) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
PubChem CID80725729
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCC2(C)CCCS2)o1
InChIInChI=1S/C12H20N2O3S2/c1-12(6-3-7-18-12)9-14-8-10-4-5-11(17-10)19(15,16)13-2/h4-5,13-14H,3,6-9H2,1-2H3
InChIKeyLBYDDSAICSWULD-UHFFFAOYSA-N
XLogP1.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 80528732
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 80726014
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390
methyl 2-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-3-carboxylate
CID 80725751
2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide
CID 106073692
N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
CID 97323688
N-methyl-4-[(1R)-1-[[(2R)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
CID 97323690
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide?
The IUPAC name of N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide (CID 80725729) is N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide is CNS(=O)(=O)c1ccc(CNCC2(C)CCCS2)o1.
What is the InChIKey of N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide?
The InChIKey is LBYDDSAICSWULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-12(6-3-7-18-12)9-14-8-10-4-5-11(17-10)19(15,16)13-2/h4-5,13-14H,3,6-9H2,1-2H3.
What are the key properties of N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide?
N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 80725729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).