N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline

C14H17NOS — CID 63086307

IUPACN-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)Cc1ccco1
InChIInChI=1S/C14H17NOS/c1-11(10-12-6-5-9-16-12)15-13-7-3-4-8-14(13)17-2/h3-9,11,15H,10H2,1-2H3
InChIKeyGRWGHCUHOYGSRR-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline

N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline (PubChem CID 63086307) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
PubChem CID63086307
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)Cc1ccco1
InChIInChI=1S/C14H17NOS/c1-11(10-12-6-5-9-16-12)15-13-7-3-4-8-14(13)17-2/h3-9,11,15H,10H2,1-2H3
InChIKeyGRWGHCUHOYGSRR-UHFFFAOYSA-N
XLogP4.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline
CID 63086016
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
N-(furan-2-ylmethyl)-2-methylsulfanylaniline
CID 43683353
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917
N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline
CID 63084439
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
N-[1-(furan-2-yl)propan-2-yl]-1H-indazol-4-amine
CID 63086017

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline (CID 63086307) is N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline is CSc1ccccc1NC(C)Cc1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline?
The InChIKey is GRWGHCUHOYGSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(10-12-6-5-9-16-12)15-13-7-3-4-8-14(13)17-2/h3-9,11,15H,10H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline?
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline has a molecular weight of 247.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline is sourced from PubChem (CID 63086307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).