bis(1-bromopyrrolidin-2-one);sulfane

C8H14Br2N2O2S — CID 87187508

IUPACbis(1-bromopyrrolidin-2-one);sulfane
SMILESO=C1CCCN1Br.O=C1CCCN1Br.S
InChIInChI=1S/2C4H6BrNO.H2S/c2*5-6-3-1-2-4(6)7;/h2*1-3H2;1H2
InChIKeyFUZKOIVWCSQXAO-UHFFFAOYSA-N
MW362.09 g/mol
LogP1.95
Rot. Bonds

About bis(1-bromopyrrolidin-2-one);sulfane

bis(1-bromopyrrolidin-2-one);sulfane (PubChem CID 87187508) has the molecular formula C8H14Br2N2O2S and a molecular weight of 362.09 g/mol. Its IUPAC name is bis(1-bromopyrrolidin-2-one);sulfane.

Molecular Properties

Compound Namebis(1-bromopyrrolidin-2-one);sulfane
PubChem CID87187508
Molecular FormulaC8H14Br2N2O2S
Molecular Weight362.09 g/mol
Exact Mass359.91
IUPAC Namebis(1-bromopyrrolidin-2-one);sulfane
SMILESO=C1CCCN1Br.O=C1CCCN1Br.S
InChIInChI=1S/2C4H6BrNO.H2S/c2*5-6-3-1-2-4(6)7;/h2*1-3H2;1H2
InChIKeyFUZKOIVWCSQXAO-UHFFFAOYSA-N
XLogP1.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(2,2-dihydroxyethenyl)pyrrolidin-2-one
CID 175238388
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
1-(cycloheptylidenemethyl)pyrrolidin-2-one
CID 102490481
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CID 3038567
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione
CID 58356997
1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one
CID 56964850
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
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1-tert-butylpyrrolidin-2-one;ethane
CID 143067264

Frequently Asked Questions

What is the IUPAC name of bis(1-bromopyrrolidin-2-one);sulfane?
The IUPAC name of bis(1-bromopyrrolidin-2-one);sulfane (CID 87187508) is bis(1-bromopyrrolidin-2-one);sulfane.
What is the SMILES notation for bis(1-bromopyrrolidin-2-one);sulfane?
The canonical SMILES for bis(1-bromopyrrolidin-2-one);sulfane is O=C1CCCN1Br.O=C1CCCN1Br.S.
What is the InChIKey of bis(1-bromopyrrolidin-2-one);sulfane?
The InChIKey is FUZKOIVWCSQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6BrNO.H2S/c2*5-6-3-1-2-4(6)7;/h2*1-3H2;1H2.
What are the key properties of bis(1-bromopyrrolidin-2-one);sulfane?
bis(1-bromopyrrolidin-2-one);sulfane has a molecular weight of 362.09 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-bromopyrrolidin-2-one);sulfane is sourced from PubChem (CID 87187508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).