2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide

C10H16N2O4S — CID 114232625

IUPAC2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)Cc1ccc(CN)o1
InChIInChI=1S/C10H16N2O4S/c1-2-12-10(13)7-17(14,15)6-9-4-3-8(5-11)16-9/h3-4H,2,5-7,11H2,1H3,(H,12,13)
InChIKeyBUZVUMXCLMLMTR-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.21
Rot. Bonds6

About 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide

2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide (PubChem CID 114232625) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide
PubChem CID114232625
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)Cc1ccc(CN)o1
InChIInChI=1S/C10H16N2O4S/c1-2-12-10(13)7-17(14,15)6-9-4-3-8(5-11)16-9/h3-4H,2,5-7,11H2,1H3,(H,12,13)
InChIKeyBUZVUMXCLMLMTR-UHFFFAOYSA-N
XLogP-0.21
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402
N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 44602033
N-(2-furylmethyl)-2-(phenylsulfonyl)acetamide
CID 2984964
2-(furan-2-ylmethylamino)-N-octylethanesulfonamide
CID 45479984
3-benzylsulfonyl-N-(furan-2-ylmethyl)propanamide
CID 2231578
1-(Furan-2-ylmethyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3646165
2-benzylsulfonyl-N-(furan-2-ylmethyl)acetamide
CID 977618
2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-N-[2-(5-dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-acetamide
CID 15164575
3-(4-methoxyphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 20970735
1-Cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
CID 45831172

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide?
The IUPAC name of 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide (CID 114232625) is 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide?
The canonical SMILES for 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide is CCNC(=O)CS(=O)(=O)Cc1ccc(CN)o1.
What is the InChIKey of 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide?
The InChIKey is BUZVUMXCLMLMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-2-12-10(13)7-17(14,15)6-9-4-3-8(5-11)16-9/h3-4H,2,5-7,11H2,1H3,(H,12,13).
What are the key properties of 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide?
2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide has a molecular weight of 260.31 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)furan-2-yl]methylsulfonyl]-N-ethylacetamide is sourced from PubChem (CID 114232625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).