2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide

C8H17N3O3S — CID 103102710

IUPAC2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)C1CS(=O)(=O)CC1N
InChIInChI=1S/C8H17N3O3S/c1-2-11(3-8(10)12)7-5-15(13,14)4-6(7)9/h6-7H,2-5,9H2,1H3,(H2,10,12)
InChIKeyWLRCPRJAPWCQSD-UHFFFAOYSA-N
MW235.31 g/mol
LogP-2.08
Rot. Bonds4

About 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide

2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide (PubChem CID 103102710) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide
PubChem CID103102710
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)C1CS(=O)(=O)CC1N
InChIInChI=1S/C8H17N3O3S/c1-2-11(3-8(10)12)7-5-15(13,14)4-6(7)9/h6-7H,2-5,9H2,1H3,(H2,10,12)
InChIKeyWLRCPRJAPWCQSD-UHFFFAOYSA-N
XLogP-2.08
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
CID 62694433
2-[(2-aminocyclohexyl)-ethylamino]acetamide
CID 103103943
3-N-ethyl-3-N-(2-methylbutyl)-1,1-dioxothiolane-3,4-diamine
CID 79476664
2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 82040848
3-N,3-N-bis(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62691467
(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545
(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 130683656
3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62693591
3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 62692316
3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62692734
2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide
CID 94453620
3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62691686

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide (CID 103102710) is 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide is CCN(CC(N)=O)C1CS(=O)(=O)CC1N.
What is the InChIKey of 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide?
The InChIKey is WLRCPRJAPWCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-2-11(3-8(10)12)7-5-15(13,14)4-6(7)9/h6-7H,2-5,9H2,1H3,(H2,10,12).
What are the key properties of 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide?
2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide has a molecular weight of 235.31 g/mol, XLogP of -2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide is sourced from PubChem (CID 103102710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).