5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide

C15H26N2O3S — CID 106079338

IUPAC5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(CNC2CC2)oc1C
InChIInChI=1S/C15H26N2O3S/c1-5-8-15(3,4)17-21(18,19)14-9-13(20-11(14)2)10-16-12-6-7-12/h9,12,16-17H,5-8,10H2,1-4H3
InChIKeyLSTTVBVJEVNENF-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.70
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide

5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide (PubChem CID 106079338) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
PubChem CID106079338
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(CNC2CC2)oc1C
InChIInChI=1S/C15H26N2O3S/c1-5-8-15(3,4)17-21(18,19)14-9-13(20-11(14)2)10-16-12-6-7-12/h9,12,16-17H,5-8,10H2,1-4H3
InChIKeyLSTTVBVJEVNENF-UHFFFAOYSA-N
XLogP2.70
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106079485
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide
CID 106019622
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)propyl]-2-methylfuran-3-sulfonamide
CID 106017188
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106079469
5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701683
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
5-[(cyclopropylamino)methyl]-N-(4-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 106067476
N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine
CID 106317132
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106091261
2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
CID 106055474
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106080730

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide (CID 106079338) is 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide is CCCC(C)(C)NS(=O)(=O)c1cc(CNC2CC2)oc1C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide?
The InChIKey is LSTTVBVJEVNENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-8-15(3,4)17-21(18,19)14-9-13(20-11(14)2)10-16-12-6-7-12/h9,12,16-17H,5-8,10H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide?
5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106079338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).