ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine

C10H21NO2S — CID 155736359

IUPACethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
SMILESC=C.CC(C)[C@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S.C2H4/c1-7(2)8-4-5-9(6-8)12(3,10)11;1-2/h7-8H,4-6H2,1-3H3;1-2H2/t8-;/m0./s1
InChIKeyBLRSRBXXJXJYAJ-QRPNPIFTSA-N
MW219.35 g/mol
LogP1.73
Rot. Bonds2

About ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine

ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine (PubChem CID 155736359) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
PubChem CID155736359
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nameethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
SMILESC=C.CC(C)[C@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S.C2H4/c1-7(2)8-4-5-9(6-8)12(3,10)11;1-2/h7-8H,4-6H2,1-3H3;1-2H2/t8-;/m0./s1
InChIKeyBLRSRBXXJXJYAJ-QRPNPIFTSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane
CID 146940638
N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine
CID 170610918
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
1-methylsulfonyl-3-propan-2-yloxypyrrolidine
CID 58139945
N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
CID 113419411
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine
CID 129407794
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 113418411
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
CID 72663039
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391

Frequently Asked Questions

What is the IUPAC name of ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine?
The IUPAC name of ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine (CID 155736359) is ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine is C=C.CC(C)[C@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine?
The InChIKey is BLRSRBXXJXJYAJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H17NO2S.C2H4/c1-7(2)8-4-5-9(6-8)12(3,10)11;1-2/h7-8H,4-6H2,1-3H3;1-2H2/t8-;/m0./s1.
What are the key properties of ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine?
ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 155736359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).