5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole

C8H13NS — CID 173158965

IUPAC5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole
SMILESC1=C(C2CCCS2)NCC1
InChIInChI=1S/C8H13NS/c1-3-7(9-5-1)8-4-2-6-10-8/h3,8-9H,1-2,4-6H2
InChIKeyABYCFSCNKZOZPA-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.76
Rot. Bonds1

About 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole

5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole (PubChem CID 173158965) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole
PubChem CID173158965
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole
SMILESC1=C(C2CCCS2)NCC1
InChIInChI=1S/C8H13NS/c1-3-7(9-5-1)8-4-2-6-10-8/h3,8-9H,1-2,4-6H2
InChIKeyABYCFSCNKZOZPA-UHFFFAOYSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738356
2-(thiolan-2-yl)-1H-imidazole-5-carbaldehyde
CID 80637984
[2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine
CID 80637084
2-(thiolan-2-yl)pyrimidine-5-carbaldehyde
CID 80637912
(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane
CID 124665905
5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium
CID 59218597
2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole
CID 115042771
2-(thian-2-yl)-1H-pyrimidin-6-one
CID 80621116
1,2,3,5,6,7-hexahydro-1,5-naphthyridine
CID 173072113
5-methoxy-2-(thiolan-2-yl)-1H-pyrimidine-6-thione
CID 126997389
5-bromo-2-(thiolan-2-yl)pyrimidine-4-carboxylic acid
CID 106512127
5-(chloromethyl)-2-(thian-2-yl)-1H-imidazole
CID 80636907

Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole (CID 173158965) is 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole is C1=C(C2CCCS2)NCC1.
What is the InChIKey of 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole?
The InChIKey is ABYCFSCNKZOZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-7(9-5-1)8-4-2-6-10-8/h3,8-9H,1-2,4-6H2.
What are the key properties of 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole?
5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole has a molecular weight of 155.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 173158965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).