2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide

C13H22N2O3S2 — CID 106073692

IUPAC2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2(C)CCCS2)c(C)o1
InChIInChI=1S/C13H22N2O3S2/c1-10-12(7-11(18-10)8-14-3)20(16,17)15-9-13(2)5-4-6-19-13/h7,14-15H,4-6,8-9H2,1-3H3
InChIKeyOEBBGQXVJYWRKR-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.87
Rot. Bonds6

About 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide

2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide (PubChem CID 106073692) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide
PubChem CID106073692
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2(C)CCCS2)c(C)o1
InChIInChI=1S/C13H22N2O3S2/c1-10-12(7-11(18-10)8-14-3)20(16,17)15-9-13(2)5-4-6-19-13/h7,14-15H,4-6,8-9H2,1-3H3
InChIKeyOEBBGQXVJYWRKR-UHFFFAOYSA-N
XLogP1.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073746
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073676
3-chloro-4-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073765
2-amino-5-bromo-4-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106491943
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide
CID 80527113
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106093333
5-(aminomethyl)-3-bromo-2-methyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073787
2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073737
2-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106089872
N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 80725729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide (CID 106073692) is 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC2(C)CCCS2)c(C)o1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide?
The InChIKey is OEBBGQXVJYWRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10-12(7-11(18-10)8-14-3)20(16,17)15-9-13(2)5-4-6-19-13/h7,14-15H,4-6,8-9H2,1-3H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide?
2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106073692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).