(3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine

C10H19NO2S — CID 106735229

IUPAC(3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine
SMILESCC(C)(C)S(=O)(=O)C/C=C1/CCNC1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14(12,13)7-5-9-4-6-11-8-9/h5,11H,4,6-8H2,1-3H3/b9-5-
InChIKeyBCVVRMGRGIVFKH-UITAMQMPSA-N
MW217.33 g/mol
LogP1.12
Rot. Bonds2

About (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine

(3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine (PubChem CID 106735229) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine.

Molecular Properties

Compound Name(3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine
PubChem CID106735229
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine
SMILESCC(C)(C)S(=O)(=O)C/C=C1/CCNC1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14(12,13)7-5-9-4-6-11-8-9/h5,11H,4,6-8H2,1-3H3/b9-5-
InChIKeyBCVVRMGRGIVFKH-UITAMQMPSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-octylidenepyrrolidine
CID 79879694
(3E)-3-dodecylidenepyrrolidine
CID 134081400
(3Z)-3-pyrrolidin-3-ylidenepropanoic acid;hydrochloride
CID 126845781
(3E)-3-(2,2-dimethylpentylidene)pyrrolidine
CID 146324332
3-(2-cyclopropylethylidene)pyrrolidine
CID 79880429
4-butylidenepiperidine
CID 14966659
ethyl 2-pyrrolidin-3-ylideneacetate;hydrochloride
CID 171369976
trimethyl(pyrrolidin-3-ylidenemethoxy)silane
CID 77434785
(3E)-3-ethylidenepiperidine
CID 55298742
4-hexylidenepiperidine;hydrochloride
CID 18963728
3-tert-butylsulfonylpropanethioic S-acid
CID 88748629
3-(2-ethylhexylidene)pyrrolidine
CID 115824737

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine?
The IUPAC name of (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine (CID 106735229) is (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine.
What is the SMILES notation for (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine?
The canonical SMILES for (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine is CC(C)(C)S(=O)(=O)C/C=C1/CCNC1.
What is the InChIKey of (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine?
The InChIKey is BCVVRMGRGIVFKH-UITAMQMPSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,3)14(12,13)7-5-9-4-6-11-8-9/h5,11H,4,6-8H2,1-3H3/b9-5-.
What are the key properties of (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine?
(3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine is sourced from PubChem (CID 106735229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).