N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide

C8H14N2O2S — CID 126983919

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
SMILESCN1CC(NC(=O)CCS)CC1=O
InChIInChI=1S/C8H14N2O2S/c1-10-5-6(4-8(10)12)9-7(11)2-3-13/h6,13H,2-5H2,1H3,(H,9,11)
InChIKeyUUJIYUAPDBZRGW-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.35
Rot. Bonds3

About N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide (PubChem CID 126983919) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
PubChem CID126983919
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
SMILESCN1CC(NC(=O)CCS)CC1=O
InChIInChI=1S/C8H14N2O2S/c1-10-5-6(4-8(10)12)9-7(11)2-3-13/h6,13H,2-5H2,1H3,(H,9,11)
InChIKeyUUJIYUAPDBZRGW-UHFFFAOYSA-N
XLogP-0.35
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.35
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

3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
CID 130585425
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110736543
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 60616692
3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
CID 95274540
2-(2-methoxyethylamino)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119758237
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789161
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 95969340
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-propan-2-ylurea
CID 71789164
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide (CID 126983919) is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide is CN1CC(NC(=O)CCS)CC1=O.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide?
The InChIKey is UUJIYUAPDBZRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10-5-6(4-8(10)12)9-7(11)2-3-13/h6,13H,2-5H2,1H3,(H,9,11).
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide has a molecular weight of 202.28 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 126983919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).