(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine

C13H21NO3S — CID 97103611

IUPAC(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)o1
InChIInChI=1S/C13H21NO3S/c1-3-11-6-7-13(17-11)10(2)14-9-12-5-4-8-18(12,15)16/h6-7,10,12,14H,3-5,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyPBEHLSLLLNQFPZ-PWSUYJOCSA-N
MW271.38 g/mol
LogP2.07
Rot. Bonds5

About (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine

(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine (PubChem CID 97103611) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine
PubChem CID97103611
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)o1
InChIInChI=1S/C13H21NO3S/c1-3-11-6-7-13(17-11)10(2)14-9-12-5-4-8-18(12,15)16/h6-7,10,12,14H,3-5,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyPBEHLSLLLNQFPZ-PWSUYJOCSA-N
XLogP2.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine with MolForge

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Related Compounds

2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
4-[(5-Methyl-2-furyl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3652335
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 44602033
4-[(2-Furylmethyl)amino]-3-hydroxythiolane-1,1-dione
CID 650403
2-(furan-2-ylmethylamino)-N-octylethanesulfonamide
CID 45479984
(2R)-2-(5-methylfuran-2-yl)pyrrolidine
CID 7141656
(2S)-2-(5-methylfuran-2-yl)pyrrolidine
CID 7141654
Iem 538
CID 32035
2-(5-Ethylfuran-2-yl)azepane
CID 53621883
N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 45479983
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 (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine?
The IUPAC name of (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine (CID 97103611) is (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine is CCc1ccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)o1.
What is the InChIKey of (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine?
The InChIKey is PBEHLSLLLNQFPZ-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-11-6-7-13(17-11)10(2)14-9-12-5-4-8-18(12,15)16/h6-7,10,12,14H,3-5,8-9H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine?
(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine has a molecular weight of 271.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine is sourced from PubChem (CID 97103611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).