N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine

C10H17NO2S — CID 19869485

IUPACN-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine
SMILESCC(C)NCCS(=O)Cc1ccco1
InChIInChI=1S/C10H17NO2S/c1-9(2)11-5-7-14(12)8-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3
InChIKeyNNFWIFAFFBPMRJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine

N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine (PubChem CID 19869485) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine
PubChem CID19869485
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine
SMILESCC(C)NCCS(=O)Cc1ccco1
InChIInChI=1S/C10H17NO2S/c1-9(2)11-5-7-14(12)8-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3
InChIKeyNNFWIFAFFBPMRJ-UHFFFAOYSA-N
XLogP1.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine (CID 19869485) is N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine is CC(C)NCCS(=O)Cc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine?
The InChIKey is NNFWIFAFFBPMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9(2)11-5-7-14(12)8-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine?
N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine has a molecular weight of 215.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine is sourced from PubChem (CID 19869485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).