methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane

C8H17NOS — CID 88915704

IUPACmethylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane
SMILESC=S(=O)(C(C)C)N1CCCC1
InChIInChI=1S/C8H17NOS/c1-8(2)11(3,10)9-6-4-5-7-9/h8H,3-7H2,1-2H3
InChIKeyOCPSEBGDBINKPN-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds2

About methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane

methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane (PubChem CID 88915704) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane.

Molecular Properties

Compound Namemethylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane
PubChem CID88915704
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Namemethylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane
SMILESC=S(=O)(C(C)C)N1CCCC1
InChIInChI=1S/C8H17NOS/c1-8(2)11(3,10)9-6-4-5-7-9/h8H,3-7H2,1-2H3
InChIKeyOCPSEBGDBINKPN-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butylsulfonylpyrrolidine
CID 303063
tert-butyl-[(3R)-3-fluoropyrrolidin-1-yl]-methylidene-oxo-lambda6-sulfane
CID 89078447
1-Pentylsulfonylpyrrolidine
CID 303120
1-(2-Methylpropylsulfinyl)pyrrolidine
CID 58641916
1-(2-Ethylsulfinylethyl)-1-methylpyrrolidin-1-ium
CID 58850409
2-Methyl-1-methylidene-1,2-thiazolidine 1-oxide
CID 59425318
2-Tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide
CID 59553935
1-Butan-2-ylsulfonylpyrrolidine
CID 89375944
1-(2-Ethylsulfinylethyl)pyrrolidine
CID 90046014
Imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-lambda6-sulfane
CID 90139503
1-Tert-butylsulfinylpyrrolidine
CID 123701742
1-[2-(Amino-methyl-oxo-lambda6-sulfanylidene)ethyl]pyrrolidine
CID 123989889

Frequently Asked Questions

What is the IUPAC name of methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane?
The IUPAC name of methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane (CID 88915704) is methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane.
What is the SMILES notation for methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane?
The canonical SMILES for methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane is C=S(=O)(C(C)C)N1CCCC1.
What is the InChIKey of methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane?
The InChIKey is OCPSEBGDBINKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2)11(3,10)9-6-4-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane?
methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane has a molecular weight of 175.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-oxo-propan-2-yl-pyrrolidin-1-yl-λ6-sulfane is sourced from PubChem (CID 88915704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).