N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide

C8H12N2O3S — CID 107031614

IUPACN-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C8H12N2O3S/c1-4(14)7(12)9-5-2-3-6(11)10-8(5)13/h4-5,14H,2-3H2,1H3,(H,9,12)(H,10,11,13)
InChIKeyNLDFBGJSWYLPCZ-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.77
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide

N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide (PubChem CID 107031614) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
PubChem CID107031614
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C8H12N2O3S/c1-4(14)7(12)9-5-2-3-6(11)10-8(5)13/h4-5,14H,2-3H2,1H3,(H,9,12)(H,10,11,13)
InChIKeyNLDFBGJSWYLPCZ-UHFFFAOYSA-N
XLogP-0.77
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966371
4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069680
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
2-amino-N-(2,6-dioxopiperidin-3-yl)-2-thiophen-2-ylacetamide
CID 113279315
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 170777735
N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide
CID 114094437
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
CID 170003318
N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 146124021

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide (CID 107031614) is N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide is CC(S)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide?
The InChIKey is NLDFBGJSWYLPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-4(14)7(12)9-5-2-3-6(11)10-8(5)13/h4-5,14H,2-3H2,1H3,(H,9,12)(H,10,11,13).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide?
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide has a molecular weight of 216.26 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107031614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).