2-propylsulfanyl-2,3-dihydro-1H-pyrrole

C7H13NS — CID 70438663

IUPAC2-propylsulfanyl-2,3-dihydro-1H-pyrrole
SMILESCCCSC1CC=CN1
InChIInChI=1S/C7H13NS/c1-2-6-9-7-4-3-5-8-7/h3,5,7-8H,2,4,6H2,1H3
InChIKeyHJTSYAFORSEEQQ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.96
Rot. Bonds3

About 2-propylsulfanyl-2,3-dihydro-1H-pyrrole

2-propylsulfanyl-2,3-dihydro-1H-pyrrole (PubChem CID 70438663) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-propylsulfanyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-propylsulfanyl-2,3-dihydro-1H-pyrrole
PubChem CID70438663
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-propylsulfanyl-2,3-dihydro-1H-pyrrole
SMILESCCCSC1CC=CN1
InChIInChI=1S/C7H13NS/c1-2-6-9-7-4-3-5-8-7/h3,5,7-8H,2,4,6H2,1H3
InChIKeyHJTSYAFORSEEQQ-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2-propylsulfanyl-2,3-dihydro-1H-pyrrole (CID 70438663) is 2-propylsulfanyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2-propylsulfanyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2-propylsulfanyl-2,3-dihydro-1H-pyrrole is CCCSC1CC=CN1.
What is the InChIKey of 2-propylsulfanyl-2,3-dihydro-1H-pyrrole?
The InChIKey is HJTSYAFORSEEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-6-9-7-4-3-5-8-7/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of 2-propylsulfanyl-2,3-dihydro-1H-pyrrole?
2-propylsulfanyl-2,3-dihydro-1H-pyrrole has a molecular weight of 143.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 70438663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).