N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide

C10H20N2O3S — CID 63923533

IUPACN-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-2-11-6-5-10(13)12-9-4-3-7-16(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyGDZUQZQSBUOIAR-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.32
Rot. Bonds5

About N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide

N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide (PubChem CID 63923533) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide
PubChem CID63923533
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-2-11-6-5-10(13)12-9-4-3-7-16(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyGDZUQZQSBUOIAR-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
4-chloro-N-(1,1-dioxothian-3-yl)butanamide
CID 63923315
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide
CID 71994756
N-(1,1-dioxothiolan-3-yl)-3-(ethylcarbamothioylamino)propanamide
CID 43076178
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
ethyl 2-[(1,1-dioxothian-3-yl)amino]-2-oxoacetate
CID 63924377
2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide
CID 79811013
3-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466548
2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
3-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110965403
N-cyclohexyl-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63921753

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide (CID 63923533) is N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide is CCNCCC(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide?
The InChIKey is GDZUQZQSBUOIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-11-6-5-10(13)12-9-4-3-7-16(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide?
N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide has a molecular weight of 248.35 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide is sourced from PubChem (CID 63923533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).