N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine

C7H14N2O2S — CID 79508665

IUPACN-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCS(=O)(=O)CCNC1=NCCC1
InChIInChI=1S/C7H14N2O2S/c1-12(10,11)6-5-9-7-3-2-4-8-7/h2-6H2,1H3,(H,8,9)
InChIKeyYYUSIVLQJMRDHK-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.19
Rot. Bonds3

About N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79508665) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79508665
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCS(=O)(=O)CCNC1=NCCC1
InChIInChI=1S/C7H14N2O2S/c1-12(10,11)6-5-9-7-3-2-4-8-7/h2-6H2,1H3,(H,8,9)
InChIKeyYYUSIVLQJMRDHK-UHFFFAOYSA-N
XLogP-0.19
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 79508665) is N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine is CS(=O)(=O)CCNC1=NCCC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is YYUSIVLQJMRDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-12(10,11)6-5-9-7-3-2-4-8-7/h2-6H2,1H3,(H,8,9).
What are the key properties of N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 190.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79508665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).