3-(tert-butylsulfinylmethyl)pyrrolidine

C9H19NOS — CID 84662314

IUPAC3-(tert-butylsulfinylmethyl)pyrrolidine
SMILESCC(C)(C)S(=O)CC1CCNC1
InChIInChI=1S/C9H19NOS/c1-9(2,3)12(11)7-8-4-5-10-6-8/h8,10H,4-7H2,1-3H3
InChIKeyQZHNRFKOZLXSSH-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.14
Rot. Bonds2

About 3-(tert-butylsulfinylmethyl)pyrrolidine

3-(tert-butylsulfinylmethyl)pyrrolidine (PubChem CID 84662314) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-(tert-butylsulfinylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(tert-butylsulfinylmethyl)pyrrolidine
PubChem CID84662314
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-(tert-butylsulfinylmethyl)pyrrolidine
SMILESCC(C)(C)S(=O)CC1CCNC1
InChIInChI=1S/C9H19NOS/c1-9(2,3)12(11)7-8-4-5-10-6-8/h8,10H,4-7H2,1-3H3
InChIKeyQZHNRFKOZLXSSH-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(propan-2-ylsulfinylmethyl)pyrrolidine
CID 84655394
3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
CID 112741739
4-(methylsulfinylmethyl)piperidine
CID 84651292
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397
3-(tert-butylsulfanylmethyl)pyrrolidine
CID 62371966
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
2-methyl-1-(pyrrolidin-3-ylmethoxy)propan-2-ol
CID 106939814
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
ethane;3-ethylpyrrolidine
CID 143803201
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfinylmethyl)pyrrolidine?
The IUPAC name of 3-(tert-butylsulfinylmethyl)pyrrolidine (CID 84662314) is 3-(tert-butylsulfinylmethyl)pyrrolidine.
What is the SMILES notation for 3-(tert-butylsulfinylmethyl)pyrrolidine?
The canonical SMILES for 3-(tert-butylsulfinylmethyl)pyrrolidine is CC(C)(C)S(=O)CC1CCNC1.
What is the InChIKey of 3-(tert-butylsulfinylmethyl)pyrrolidine?
The InChIKey is QZHNRFKOZLXSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,3)12(11)7-8-4-5-10-6-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(tert-butylsulfinylmethyl)pyrrolidine?
3-(tert-butylsulfinylmethyl)pyrrolidine has a molecular weight of 189.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfinylmethyl)pyrrolidine is sourced from PubChem (CID 84662314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).