3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one

C9H18N2OS — CID 63965198

IUPAC3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
SMILESCCNC1CCN(CCSC)C1=O
InChIInChI=1S/C9H18N2OS/c1-3-10-8-4-5-11(9(8)12)6-7-13-2/h8,10H,3-7H2,1-2H3
InChIKeyNFYNDDGGRIUCQS-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.56
Rot. Bonds5

About 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one

3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one (PubChem CID 63965198) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
PubChem CID63965198
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
SMILESCCNC1CCN(CCSC)C1=O
InChIInChI=1S/C9H18N2OS/c1-3-10-8-4-5-11(9(8)12)6-7-13-2/h8,10H,3-7H2,1-2H3
InChIKeyNFYNDDGGRIUCQS-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-[4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
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(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
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N-{3-[Di(propan-2-yl)amino]propyl}-2-(2-oxopyrrolidin-1-yl)acetamide
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(2S)-aminobutyryl-4-thia-L-prolinamide
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1-[3-(Thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
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2-acetamido-N,N-dimethyl-4-(methylsulfanyl)butanamide
CID 5245532
N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one (CID 63965198) is 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one is CCNC1CCN(CCSC)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one?
The InChIKey is NFYNDDGGRIUCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-10-8-4-5-11(9(8)12)6-7-13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one?
3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one has a molecular weight of 202.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one is sourced from PubChem (CID 63965198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).