(1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine

C8H14N2O2S — CID 130618224

IUPAC(1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1cccn1S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-3-7(9)8-5-4-6-10(8)13(2,11)12/h4-7H,3,9H2,1-2H3/t7-/m0/s1
InChIKeyOAIPTVNCAGNSCA-ZETCQYMHSA-N
MW202.28 g/mol
LogP0.71
Rot. Bonds3

About (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine

(1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine (PubChem CID 130618224) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine
PubChem CID130618224
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name(1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1cccn1S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-3-7(9)8-5-4-6-10(8)13(2,11)12/h4-7H,3,9H2,1-2H3/t7-/m0/s1
InChIKeyOAIPTVNCAGNSCA-ZETCQYMHSA-N
XLogP0.71
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine (CID 130618224) is (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine is CC[C@H](N)c1cccn1S(C)(=O)=O.
What is the InChIKey of (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine?
The InChIKey is OAIPTVNCAGNSCA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-7(9)8-5-4-6-10(8)13(2,11)12/h4-7H,3,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine?
(1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine has a molecular weight of 202.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylsulfonylpyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 130618224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).