N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine

C11H14N2OS — CID 79090711

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine
SMILESCSCc1ccc(CNn2cccc2)o1
InChIInChI=1S/C11H14N2OS/c1-15-9-11-5-4-10(14-11)8-12-13-6-2-3-7-13/h2-7,12H,8-9H2,1H3
InChIKeyDYJHKJWIMKOAOU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.69
Rot. Bonds5

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine (PubChem CID 79090711) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine
PubChem CID79090711
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine
SMILESCSCc1ccc(CNn2cccc2)o1
InChIInChI=1S/C11H14N2OS/c1-15-9-11-5-4-10(14-11)8-12-13-6-2-3-7-13/h2-7,12H,8-9H2,1H3
InChIKeyDYJHKJWIMKOAOU-UHFFFAOYSA-N
XLogP2.69
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine
CID 83009821
N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 82710130
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43755673
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
CID 61222112
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057757
(1S)-1-(3-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81364045
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070
1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43779085

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine (CID 79090711) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine is CSCc1ccc(CNn2cccc2)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine?
The InChIKey is DYJHKJWIMKOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-15-9-11-5-4-10(14-11)8-12-13-6-2-3-7-13/h2-7,12H,8-9H2,1H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine is sourced from PubChem (CID 79090711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).