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

C10H18N2OS — CID 115764127

IUPACN-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1cccn1C)S(C)=O
InChIInChI=1S/C10H18N2OS/c1-9(14(3)13)7-11-8-10-5-4-6-12(10)2/h4-6,9,11H,7-8H2,1-3H3
InChIKeyUDOVHDDHEJNZKR-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.88
Rot. Bonds5

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

N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115764127) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115764127
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1cccn1C)S(C)=O
InChIInChI=1S/C10H18N2OS/c1-9(14(3)13)7-11-8-10-5-4-6-12(10)2/h4-6,9,11H,7-8H2,1-3H3
InChIKeyUDOVHDDHEJNZKR-UHFFFAOYSA-N
XLogP0.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757469
2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 106171308
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111436616
2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine
CID 115667004
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
N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 103897213
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
N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402051
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine (CID 115764127) is N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine is CC(CNCc1cccn1C)S(C)=O.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is UDOVHDDHEJNZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-9(14(3)13)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-methylsulfinylpropan-1-amine?
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 214.33 g/mol, XLogP of 0.88, 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-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115764127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).