5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide

C13H17N3O4S — CID 106424034

IUPAC5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
SMILESCc1oc(CNC2CC2)cc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C13H17N3O4S/c1-9-13(6-12(19-9)7-14-10-2-3-10)21(17,18)16-8-11-4-5-15-20-11/h4-6,10,14,16H,2-3,7-8H2,1H3
InChIKeyLSMSCGGKLRDLAT-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.31
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide

5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide (PubChem CID 106424034) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
PubChem CID106424034
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
SMILESCc1oc(CNC2CC2)cc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C13H17N3O4S/c1-9-13(6-12(19-9)7-14-10-2-3-10)21(17,18)16-8-11-4-5-15-20-11/h4-6,10,14,16H,2-3,7-8H2,1H3
InChIKeyLSMSCGGKLRDLAT-UHFFFAOYSA-N
XLogP1.31
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424008
5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701683
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]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
CID 106079338
2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423891

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide (CID 106424034) is 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide is Cc1oc(CNC2CC2)cc1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide?
The InChIKey is LSMSCGGKLRDLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9-13(6-12(19-9)7-14-10-2-3-10)21(17,18)16-8-11-4-5-15-20-11/h4-6,10,14,16H,2-3,7-8H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide?
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 106424034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).