(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine

C12H19NOS2 — CID 67330407

IUPAC(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine
SMILESCC(C)(C)S(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C12H19NOS2/c1-12(2,3)16(14)13-8-4-6-10(13)11-7-5-9-15-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-,16?/m1/s1
InChIKeyUAUSENBMSZCPSH-HQNRFAHOSA-N
MW257.42 g/mol
LogP3.35
Rot. Bonds2

About (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine

(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine (PubChem CID 67330407) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine
PubChem CID67330407
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC Name(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine
SMILESCC(C)(C)S(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C12H19NOS2/c1-12(2,3)16(14)13-8-4-6-10(13)11-7-5-9-15-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-,16?/m1/s1
InChIKeyUAUSENBMSZCPSH-HQNRFAHOSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 71059937
(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 11242184
1-[(S)-tert-butylsulfinyl]-2-(2-fluorophenyl)pyrrolidine
CID 171036245
3-chloro-2,2-dimethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 63679619
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine
CID 164673653
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
(2R)-1-[(R)-tert-butylsulfinyl]-2-[3-(difluoromethoxy)phenyl]pyrrolidine
CID 178095116
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11923842
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
2-thiophen-2-ylpiperidine-1-carbaldehyde
CID 12870953
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine (CID 67330407) is (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine is CC(C)(C)S(=O)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine?
The InChIKey is UAUSENBMSZCPSH-HQNRFAHOSA-N. The full InChI is InChI=1S/C12H19NOS2/c1-12(2,3)16(14)13-8-4-6-10(13)11-7-5-9-15-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-,16?/m1/s1.
What are the key properties of (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine?
(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 67330407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).