3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole

C10H17NS — CID 146657267

IUPAC3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole
SMILESC=CSC1=C(C)CNC1C(C)C
InChIInChI=1S/C10H17NS/c1-5-12-10-8(4)6-11-9(10)7(2)3/h5,7,9,11H,1,6H2,2-4H3
InChIKeyCYASNYJBZOHTGA-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.76
Rot. Bonds3

About 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole

3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole (PubChem CID 146657267) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole
PubChem CID146657267
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole
SMILESC=CSC1=C(C)CNC1C(C)C
InChIInChI=1S/C10H17NS/c1-5-12-10-8(4)6-11-9(10)7(2)3/h5,7,9,11H,1,6H2,2-4H3
InChIKeyCYASNYJBZOHTGA-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole (CID 146657267) is 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole is C=CSC1=C(C)CNC1C(C)C.
What is the InChIKey of 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole?
The InChIKey is CYASNYJBZOHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-5-12-10-8(4)6-11-9(10)7(2)3/h5,7,9,11H,1,6H2,2-4H3.
What are the key properties of 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole?
3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole has a molecular weight of 183.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 146657267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).