2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide

C10H20N2O3S2 — CID 66233717

IUPAC2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(N)CCSCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S2/c1-8(11)2-4-16-6-10(13)12-9-3-5-17(14,15)7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyWSBZIDBSTWNSDK-UHFFFAOYSA-N
MW280.41 g/mol
LogP-0.24
Rot. Bonds6

About 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 66233717) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID66233717
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(N)CCSCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S2/c1-8(11)2-4-16-6-10(13)12-9-3-5-17(14,15)7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyWSBZIDBSTWNSDK-UHFFFAOYSA-N
XLogP-0.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
CID 78972072
2-(3-aminobutylsulfanyl)-N-(2-methylcyclohexyl)acetamide
CID 66234587
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 95321073
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 81490518
2-amino-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 24698207
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95207800
2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18777901
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7845142
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 66233717) is 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide is CC(N)CCSCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is WSBZIDBSTWNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-8(11)2-4-16-6-10(13)12-9-3-5-17(14,15)7-9/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 280.41 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 66233717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).