1-(4-sulfanylhexyl)pyrrolidin-2-one

C10H19NOS — CID 141416613

IUPAC1-(4-sulfanylhexyl)pyrrolidin-2-one
SMILESCCC(S)CCCN1CCCC1=O
InChIInChI=1S/C10H19NOS/c1-2-9(13)5-3-7-11-8-4-6-10(11)12/h9,13H,2-8H2,1H3
InChIKeyQQDMYNGWSGTNHK-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.10
Rot. Bonds5

About 1-(4-sulfanylhexyl)pyrrolidin-2-one

1-(4-sulfanylhexyl)pyrrolidin-2-one (PubChem CID 141416613) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(4-sulfanylhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-sulfanylhexyl)pyrrolidin-2-one
PubChem CID141416613
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(4-sulfanylhexyl)pyrrolidin-2-one
SMILESCCC(S)CCCN1CCCC1=O
InChIInChI=1S/C10H19NOS/c1-2-9(13)5-3-7-11-8-4-6-10(11)12/h9,13H,2-8H2,1H3
InChIKeyQQDMYNGWSGTNHK-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[3-(1-sulfanylethylamino)propyl]pyrrolidin-2-one
CID 130243875
1-(5-hydroxy-4-methylpentyl)piperidin-2-one
CID 106159311
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
1-(3,3-diethoxypropyl)pyrrolidin-2-one
CID 63628099
1-[6,9,13-tris(2-oxopyrrolidin-1-yl)tridecyl]pyrrolidin-2-one
CID 130207187
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfanylhexyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-sulfanylhexyl)pyrrolidin-2-one (CID 141416613) is 1-(4-sulfanylhexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-sulfanylhexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-sulfanylhexyl)pyrrolidin-2-one is CCC(S)CCCN1CCCC1=O.
What is the InChIKey of 1-(4-sulfanylhexyl)pyrrolidin-2-one?
The InChIKey is QQDMYNGWSGTNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-9(13)5-3-7-11-8-4-6-10(11)12/h9,13H,2-8H2,1H3.
What are the key properties of 1-(4-sulfanylhexyl)pyrrolidin-2-one?
1-(4-sulfanylhexyl)pyrrolidin-2-one has a molecular weight of 201.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfanylhexyl)pyrrolidin-2-one is sourced from PubChem (CID 141416613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).