N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine

C10H17NO3S — CID 115876171

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine
SMILESCc1cc(CNCCS(C)(=O)=O)c(C)o1
InChIInChI=1S/C10H17NO3S/c1-8-6-10(9(2)14-8)7-11-4-5-15(3,12)13/h6,11H,4-5,7H2,1-3H3
InChIKeyJZVHHGCFHOXNPF-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.03
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine

N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine (PubChem CID 115876171) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine
PubChem CID115876171
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine
SMILESCc1cc(CNCCS(C)(=O)=O)c(C)o1
InChIInChI=1S/C10H17NO3S/c1-8-6-10(9(2)14-8)7-11-4-5-15(3,12)13/h6,11H,4-5,7H2,1-3H3
InChIKeyJZVHHGCFHOXNPF-UHFFFAOYSA-N
XLogP1.03
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[5-Methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 2738457
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide
CID 56765536
N-((2,5-dimethylfuran-3-yl)methyl)-1-(4-fluorophenyl)methanesulfonamide
CID 56765580
(2,5-Dimethylfuran-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 71933485
N-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)-2-phenylethanesulfonamide
CID 49684176
N-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49687167
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-2,5-dimethylfuran-3-carboxamide
CID 49692182
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide
CID 56765534
N-((2,5-dimethylfuran-3-yl)methyl)-3,3-dimethylbutanamide
CID 56765537
N-[2-(methanesulfonamido)ethyl]-N,2,5-trimethylfuran-3-carboxamide
CID 60307284
N,2,5-trimethyl-N-(3-methylsulfonylbutan-2-yl)furan-3-carboxamide
CID 60308613
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]methanesulfonamide
CID 94215489

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine (CID 115876171) is N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine is Cc1cc(CNCCS(C)(=O)=O)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine?
The InChIKey is JZVHHGCFHOXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-8-6-10(9(2)14-8)7-11-4-5-15(3,12)13/h6,11H,4-5,7H2,1-3H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine?
N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine has a molecular weight of 231.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 115876171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).