N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide

C11H20N2O2S — CID 107769847

IUPACN-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
SMILESCCC1CCN(C(=O)C(CS)NC(C)=O)C1
InChIInChI=1S/C11H20N2O2S/c1-3-9-4-5-13(6-9)11(15)10(7-16)12-8(2)14/h9-10,16H,3-7H2,1-2H3,(H,12,14)
InChIKeyQSERBAIPBZLZNC-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.68
Rot. Bonds4

About N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide

N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide (PubChem CID 107769847) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
PubChem CID107769847
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
SMILESCCC1CCN(C(=O)C(CS)NC(C)=O)C1
InChIInChI=1S/C11H20N2O2S/c1-3-9-4-5-13(6-9)11(15)10(7-16)12-8(2)14/h9-10,16H,3-7H2,1-2H3,(H,12,14)
InChIKeyQSERBAIPBZLZNC-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminopyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769417
N-[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769150
1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115686899
N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769009
N-[1-(4-cyclopropylpiperazin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769233
N-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769692
N-[1-(4,4-dimethylpiperidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769489
N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 24952547
2-acetamido-N-[(1-ethylpiperidin-4-yl)methyl]-3-sulfanylpropanamide
CID 107769367
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979
N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769145
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide?
The IUPAC name of N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide (CID 107769847) is N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide is CCC1CCN(C(=O)C(CS)NC(C)=O)C1.
What is the InChIKey of N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide?
The InChIKey is QSERBAIPBZLZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-9-4-5-13(6-9)11(15)10(7-16)12-8(2)14/h9-10,16H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide?
N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide has a molecular weight of 244.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylpyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide is sourced from PubChem (CID 107769847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).