N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide

C12H20N2O6S2 — CID 99976773

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide
SMILESO=CN(CCN(C=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O6S2/c15-9-13(11-1-5-21(17,18)7-11)3-4-14(10-16)12-2-6-22(19,20)8-12/h9-12H,1-8H2/t11-,12+
InChIKeyGONLWBBZUWFJPE-TXEJJXNPSA-N
MW352.43 g/mol
LogP-1.72
Rot. Bonds7

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide (PubChem CID 99976773) has the molecular formula C12H20N2O6S2 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide
PubChem CID99976773
Molecular FormulaC12H20N2O6S2
Molecular Weight352.43 g/mol
Exact Mass352.08
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide
SMILESO=CN(CCN(C=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O6S2/c15-9-13(11-1-5-21(17,18)7-11)3-4-14(10-16)12-2-6-22(19,20)8-12/h9-12H,1-8H2/t11-,12+
InChIKeyGONLWBBZUWFJPE-TXEJJXNPSA-N
XLogP-1.72
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
CID 62113335
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[(3S)-1,1-dioxothiolan-3-yl]oxypropyl]formamide
CID 99976860
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide
CID 99976873
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]propanamide
CID 99977281
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethyl]formamide
CID 99976687
N-(1,1-dioxothiolan-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)formamide
CID 102566535
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 59691476

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide (CID 99976773) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide is O=CN(CCN(C=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide?
The InChIKey is GONLWBBZUWFJPE-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H20N2O6S2/c15-9-13(11-1-5-21(17,18)7-11)3-4-14(10-16)12-2-6-22(19,20)8-12/h9-12H,1-8H2/t11-,12+.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide has a molecular weight of 352.43 g/mol, XLogP of -1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide is sourced from PubChem (CID 99976773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).