2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide

C9H17N3O2S — CID 107296090

IUPAC2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC1CCSC1
InChIInChI=1S/C9H17N3O2S/c10-3-8(13)12-5-9(14)11-4-7-1-2-15-6-7/h7H,1-6,10H2,(H,11,14)(H,12,13)
InChIKeyCJDNGKLOGSLBEI-UHFFFAOYSA-N
MW231.32 g/mol
LogP-1.07
Rot. Bonds5

About 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide

2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide (PubChem CID 107296090) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
PubChem CID107296090
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC1CCSC1
InChIInChI=1S/C9H17N3O2S/c10-3-8(13)12-5-9(14)11-4-7-1-2-15-6-7/h7H,1-6,10H2,(H,11,14)(H,12,13)
InChIKeyCJDNGKLOGSLBEI-UHFFFAOYSA-N
XLogP-1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 107296147
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
CID 107298400
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
2-amino-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]acetamide
CID 80584787
N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide
CID 107296276
4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295920
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide (CID 107296090) is 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide is NCC(=O)NCC(=O)NCC1CCSC1.
What is the InChIKey of 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide?
The InChIKey is CJDNGKLOGSLBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c10-3-8(13)12-5-9(14)11-4-7-1-2-15-6-7/h7H,1-6,10H2,(H,11,14)(H,12,13).
What are the key properties of 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide?
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide has a molecular weight of 231.32 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 107296090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).