N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline

C16H19NOS — CID 43683366

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H19NOS/c1-11-9-13(11)15-8-7-12(18-15)10-17-14-5-3-4-6-16(14)19-2/h3-8,11,13,17H,9-10H2,1-2H3
InChIKeyPEDGAQIFAVIHOZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.74
Rot. Bonds5

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline (PubChem CID 43683366) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline
PubChem CID43683366
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H19NOS/c1-11-9-13(11)15-8-7-12(18-15)10-17-14-5-3-4-6-16(14)19-2/h3-8,11,13,17H,9-10H2,1-2H3
InChIKeyPEDGAQIFAVIHOZ-UHFFFAOYSA-N
XLogP4.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline
CID 86799489
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 61168138
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-nitroaniline
CID 43719623
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43093359
N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2-morpholin-4-ylpyridin-3-amine
CID 99704978
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
4-bromo-2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 81292277
2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43192907
1,1-dimethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]hydrazine
CID 83004795

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline (CID 43683366) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline is CSc1ccccc1NCc1ccc(C2CC2C)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline?
The InChIKey is PEDGAQIFAVIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-9-13(11)15-8-7-12(18-15)10-17-14-5-3-4-6-16(14)19-2/h3-8,11,13,17H,9-10H2,1-2H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline has a molecular weight of 273.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline is sourced from PubChem (CID 43683366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).