2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane

C6H11NS2 — CID 163654245

IUPAC2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane
SMILESCS(=S)CC1C=CCN1
InChIInChI=1S/C6H11NS2/c1-9(8)5-6-3-2-4-7-6/h2-3,6-7H,4-5H2,1H3
InChIKeyIOUORSPPPJTXSO-UHFFFAOYSA-N
MW161.30 g/mol
LogP0.22
Rot. Bonds2

About 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane

2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane (PubChem CID 163654245) has the molecular formula C6H11NS2 and a molecular weight of 161.30 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane
PubChem CID163654245
Molecular FormulaC6H11NS2
Molecular Weight161.30 g/mol
Exact Mass161.03
IUPAC Name2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane
SMILESCS(=S)CC1C=CCN1
InChIInChI=1S/C6H11NS2/c1-9(8)5-6-3-2-4-7-6/h2-3,6-7H,4-5H2,1H3
InChIKeyIOUORSPPPJTXSO-UHFFFAOYSA-N
XLogP0.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,5-dihydro-1H-pyrrol-2-ylmethanethiol
CID 89216777
2-Methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123468671
(Z)-N-[1-(trimethyl-lambda4-sulfanyl)but-3-en-2-yl]pent-2-en-2-amine
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2-methyl-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-pyrrole
CID 141381307
(Z)-3-ethenylsulfanylpent-3-en-2-amine
CID 143076640
N-methyl-2,3-dihydrothiophen-3-amine
CID 144063048
N,2-dimethyl-2,3-dihydrothiophen-3-amine
CID 146338252
(Z,2S,5S)-5-but-3-en-2-ylsulfanyl-2-(methylamino)hex-3-ene-3-thiol
CID 155002591
(3R)-5-methyl-2,3-dihydrothiophen-3-amine
CID 166812420
Dimethyl-sulfanyl-(1,2,3,6-tetrahydropyridin-4-yl)-lambda4-sulfane
CID 169918262

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane (CID 163654245) is 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane is CS(=S)CC1C=CCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane?
The InChIKey is IOUORSPPPJTXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2/c1-9(8)5-6-3-2-4-7-6/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane?
2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane has a molecular weight of 161.30 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-ylmethyl-methyl-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 163654245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).