1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine

C11H20N2O2S — CID 115867956

IUPAC1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCc1ccn(C)c1
InChIInChI=1S/C11H20N2O2S/c1-4-16(14,15)9-10(2)12-7-11-5-6-13(3)8-11/h5-6,8,10,12H,4,7,9H2,1-3H3
InChIKeyOMITYWTWSJYFGA-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.94
Rot. Bonds6

About 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine

1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine (PubChem CID 115867956) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
PubChem CID115867956
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCc1ccn(C)c1
InChIInChI=1S/C11H20N2O2S/c1-4-16(14,15)9-10(2)12-7-11-5-6-13(3)8-11/h5-6,8,10,12H,4,7,9H2,1-3H3
InChIKeyOMITYWTWSJYFGA-UHFFFAOYSA-N
XLogP0.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
CID 115677495
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
CID 66398785
2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 115867933
(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103872075
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine (CID 115867956) is 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine is CCS(=O)(=O)CC(C)NCc1ccn(C)c1.
What is the InChIKey of 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine?
The InChIKey is OMITYWTWSJYFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-16(14,15)9-10(2)12-7-11-5-6-13(3)8-11/h5-6,8,10,12H,4,7,9H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine?
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine has a molecular weight of 244.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 115867956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).