2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide

C11H20N2OS — CID 115738943

IUPAC2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide
SMILESO=C(CC1CCCN1)NC1CCSCC1
InChIInChI=1S/C11H20N2OS/c14-11(8-10-2-1-5-12-10)13-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyKZUQXHVIVWIGCV-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.14
Rot. Bonds3

About 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide

2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide (PubChem CID 115738943) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide
PubChem CID115738943
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide
SMILESO=C(CC1CCCN1)NC1CCSCC1
InChIInChI=1S/C11H20N2OS/c14-11(8-10-2-1-5-12-10)13-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyKZUQXHVIVWIGCV-UHFFFAOYSA-N
XLogP1.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119674142
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
N-(4-hydroxycyclohexyl)-2-piperidin-2-ylacetamide
CID 43151230
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
CID 61365867
N-(dicyclopropylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366652
N-(3,3-dimethylcyclopentyl)-2-pyrrolidin-2-ylacetamide
CID 114546332
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-(3,5-dimethylcyclohexyl)-2-piperidin-2-ylacetamide
CID 64734481
N-(6-oxopiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
CID 63660873
N-(thian-4-yl)pyrrolidine-2-carboxamide
CID 115626530

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide (CID 115738943) is 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide is O=C(CC1CCCN1)NC1CCSCC1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide?
The InChIKey is KZUQXHVIVWIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(8-10-2-1-5-12-10)13-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide?
2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide has a molecular weight of 228.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide is sourced from PubChem (CID 115738943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).