N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline

C16H19NOS — CID 63086016

IUPACN-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline
SMILESC=CCSc1ccccc1NC(C)Cc1ccco1
InChIInChI=1S/C16H19NOS/c1-3-11-19-16-9-5-4-8-15(16)17-13(2)12-14-7-6-10-18-14/h3-10,13,17H,1,11-12H2,2H3
InChIKeyGZZARRMZVQUPRN-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.60
Rot. Bonds7

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

N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline (PubChem CID 63086016) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline
PubChem CID63086016
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline
SMILESC=CCSc1ccccc1NC(C)Cc1ccco1
InChIInChI=1S/C16H19NOS/c1-3-11-19-16-9-5-4-8-15(16)17-13(2)12-14-7-6-10-18-14/h3-10,13,17H,1,11-12H2,2H3
InChIKeyGZZARRMZVQUPRN-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
N-[1-(4-methylphenyl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63448738
2-prop-2-enylsulfanyl-N-(1-pyridin-4-ylethyl)aniline
CID 54862461
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-(1-cyclopentylethyl)-2-prop-2-enylsulfanylaniline
CID 55191581
N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline
CID 63084439
N-[1-(3-methylthiophen-2-yl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63993459
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline (CID 63086016) is N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline is C=CCSc1ccccc1NC(C)Cc1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline?
The InChIKey is GZZARRMZVQUPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-11-19-16-9-5-4-8-15(16)17-13(2)12-14-7-6-10-18-14/h3-10,13,17H,1,11-12H2,2H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline?
N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline has a molecular weight of 273.40 g/mol, XLogP of 4.60, 7 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-prop-2-enylsulfanylaniline is sourced from PubChem (CID 63086016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).