5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide

C13H22N2O4S — CID 102701683

IUPAC5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(CNC2CC2)oc1C
InChIInChI=1S/C13H22N2O4S/c1-9(18-3)7-15-20(16,17)13-6-12(19-10(13)2)8-14-11-4-5-11/h6,9,11,14-15H,4-5,7-8H2,1-3H3
InChIKeyCTEVIQYTIHHNKN-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.15
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide (PubChem CID 102701683) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
PubChem CID102701683
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(CNC2CC2)oc1C
InChIInChI=1S/C13H22N2O4S/c1-9(18-3)7-15-20(16,17)13-6-12(19-10(13)2)8-14-11-4-5-11/h6,9,11,14-15H,4-5,7-8H2,1-3H3
InChIKeyCTEVIQYTIHHNKN-UHFFFAOYSA-N
XLogP1.15
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)propyl]-2-methylfuran-3-sulfonamide
CID 106017188
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
5-[(cyclopropylamino)methyl]-N-(4-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 106067476
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide
CID 106019622
2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
CID 102701595
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide
CID 115409144
5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
CID 106079338
3-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 102701655
N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine
CID 106317132
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide (CID 102701683) is 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide is COC(C)CNS(=O)(=O)c1cc(CNC2CC2)oc1C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide?
The InChIKey is CTEVIQYTIHHNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-9(18-3)7-15-20(16,17)13-6-12(19-10(13)2)8-14-11-4-5-11/h6,9,11,14-15H,4-5,7-8H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 102701683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).