1-methylsulfanyl-3-propan-2-ylpyrrole

C8H13NS — CID 135127449

IUPAC1-methylsulfanyl-3-propan-2-ylpyrrole
SMILESCSn1ccc(C(C)C)c1
InChIInChI=1S/C8H13NS/c1-7(2)8-4-5-9(6-8)10-3/h4-7H,1-3H3
InChIKeyHCRPGCQDIGRUTR-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.74
Rot. Bonds2

About 1-methylsulfanyl-3-propan-2-ylpyrrole

1-methylsulfanyl-3-propan-2-ylpyrrole (PubChem CID 135127449) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-methylsulfanyl-3-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-methylsulfanyl-3-propan-2-ylpyrrole
PubChem CID135127449
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-methylsulfanyl-3-propan-2-ylpyrrole
SMILESCSn1ccc(C(C)C)c1
InChIInChI=1S/C8H13NS/c1-7(2)8-4-5-9(6-8)10-3/h4-7H,1-3H3
InChIKeyHCRPGCQDIGRUTR-UHFFFAOYSA-N
XLogP2.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-propan-2-ylpyrrole?
The IUPAC name of 1-methylsulfanyl-3-propan-2-ylpyrrole (CID 135127449) is 1-methylsulfanyl-3-propan-2-ylpyrrole.
What is the SMILES notation for 1-methylsulfanyl-3-propan-2-ylpyrrole?
The canonical SMILES for 1-methylsulfanyl-3-propan-2-ylpyrrole is CSn1ccc(C(C)C)c1.
What is the InChIKey of 1-methylsulfanyl-3-propan-2-ylpyrrole?
The InChIKey is HCRPGCQDIGRUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(2)8-4-5-9(6-8)10-3/h4-7H,1-3H3.
What are the key properties of 1-methylsulfanyl-3-propan-2-ylpyrrole?
1-methylsulfanyl-3-propan-2-ylpyrrole has a molecular weight of 155.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-propan-2-ylpyrrole is sourced from PubChem (CID 135127449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).