3-(propan-2-ylsulfinylmethyl)pyrrolidine

C8H17NOS — CID 84655394

IUPAC3-(propan-2-ylsulfinylmethyl)pyrrolidine
SMILESCC(C)S(=O)CC1CCNC1
InChIInChI=1S/C8H17NOS/c1-7(2)11(10)6-8-3-4-9-5-8/h7-9H,3-6H2,1-2H3
InChIKeyCWQMNJOLTLMDKC-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.75
Rot. Bonds3

About 3-(propan-2-ylsulfinylmethyl)pyrrolidine

3-(propan-2-ylsulfinylmethyl)pyrrolidine (PubChem CID 84655394) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-(propan-2-ylsulfinylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(propan-2-ylsulfinylmethyl)pyrrolidine
PubChem CID84655394
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-(propan-2-ylsulfinylmethyl)pyrrolidine
SMILESCC(C)S(=O)CC1CCNC1
InChIInChI=1S/C8H17NOS/c1-7(2)11(10)6-8-3-4-9-5-8/h7-9H,3-6H2,1-2H3
InChIKeyCWQMNJOLTLMDKC-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylsulfinylmethyl)pyrrolidine
CID 84662314
1-(1-pyrrolidin-3-ylpropan-2-yl)pyrrolidine
CID 105440316
4-(methylsulfinylmethyl)piperidine
CID 84651292
3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
CID 112741739
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
4-(1-pyrrolidin-3-ylpropan-2-yl)morpholine
CID 105451785
ethane;3-ethylpyrrolidine
CID 143803201
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
4-pyrrolidin-3-ylbutan-2-ol
CID 82417870
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfinylmethyl)pyrrolidine?
The IUPAC name of 3-(propan-2-ylsulfinylmethyl)pyrrolidine (CID 84655394) is 3-(propan-2-ylsulfinylmethyl)pyrrolidine.
What is the SMILES notation for 3-(propan-2-ylsulfinylmethyl)pyrrolidine?
The canonical SMILES for 3-(propan-2-ylsulfinylmethyl)pyrrolidine is CC(C)S(=O)CC1CCNC1.
What is the InChIKey of 3-(propan-2-ylsulfinylmethyl)pyrrolidine?
The InChIKey is CWQMNJOLTLMDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2)11(10)6-8-3-4-9-5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(propan-2-ylsulfinylmethyl)pyrrolidine?
3-(propan-2-ylsulfinylmethyl)pyrrolidine has a molecular weight of 175.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfinylmethyl)pyrrolidine is sourced from PubChem (CID 84655394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).