N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine

C10H18N2S — CID 115757469

IUPACN-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1cccn1C
InChIInChI=1S/C10H18N2S/c1-9(13-3)7-11-8-10-5-4-6-12(10)2/h4-6,9,11H,7-8H2,1-3H3
InChIKeyVWEWLRMGJNIVLI-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.87
Rot. Bonds5

About N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine

N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115757469) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine
PubChem CID115757469
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1cccn1C
InChIInChI=1S/C10H18N2S/c1-9(13-3)7-11-8-10-5-4-6-12(10)2/h4-6,9,11H,7-8H2,1-3H3
InChIKeyVWEWLRMGJNIVLI-UHFFFAOYSA-N
XLogP1.87
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764127
2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine
CID 115667004
2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 106171308
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111436616
N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122168776
1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
CID 17332528
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine (CID 115757469) is N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNCc1cccn1C.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is VWEWLRMGJNIVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9(13-3)7-11-8-10-5-4-6-12(10)2/h4-6,9,11H,7-8H2,1-3H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine?
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115757469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).