N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide

C7H13NO4S — CID 62113335

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
SMILESO=CN(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO4S/c9-3-2-8(6-10)7-1-4-13(11,12)5-7/h6-7,9H,1-5H2
InChIKeyRQBHXXBPGQIJSX-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.38
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide (PubChem CID 62113335) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
PubChem CID62113335
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
SMILESO=CN(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO4S/c9-3-2-8(6-10)7-1-4-13(11,12)5-7/h6-7,9H,1-5H2
InChIKeyRQBHXXBPGQIJSX-UHFFFAOYSA-N
XLogP-1.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide
CID 99976773
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]propanamide
CID 99977281
N-(1,1-dioxothiolan-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)formamide
CID 102566535
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[(3S)-1,1-dioxothiolan-3-yl]oxypropyl]formamide
CID 99976860
2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 59691476
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide
CID 99976873
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethyl]formamide
CID 99976687
potassium N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamodithioate
CID 18876358
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(prop-2-enylamino)acetamide
CID 79285029

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide (CID 62113335) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide is O=CN(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide?
The InChIKey is RQBHXXBPGQIJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c9-3-2-8(6-10)7-1-4-13(11,12)5-7/h6-7,9H,1-5H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide has a molecular weight of 207.25 g/mol, XLogP of -1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide is sourced from PubChem (CID 62113335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).