1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine

C12H17NS3 — CID 138663344

IUPAC1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine
SMILESc1csc(SC2CSCC2N2CCCC2)c1
InChIInChI=1S/C12H17NS3/c1-2-6-13(5-1)10-8-14-9-11(10)16-12-4-3-7-15-12/h3-4,7,10-11H,1-2,5-6,8-9H2
InChIKeyDCFQKURJSKBQAS-UHFFFAOYSA-N
MW271.48 g/mol
LogP3.42
Rot. Bonds3

About 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine

1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine (PubChem CID 138663344) has the molecular formula C12H17NS3 and a molecular weight of 271.48 g/mol. Its IUPAC name is 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine
PubChem CID138663344
Molecular FormulaC12H17NS3
Molecular Weight271.48 g/mol
Exact Mass271.05
IUPAC Name1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine
SMILESc1csc(SC2CSCC2N2CCCC2)c1
InChIInChI=1S/C12H17NS3/c1-2-6-13(5-1)10-8-14-9-11(10)16-12-4-3-7-15-12/h3-4,7,10-11H,1-2,5-6,8-9H2
InChIKeyDCFQKURJSKBQAS-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Pyrrolidinyl)-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 20897661
1-[(3S,4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine
CID 138663343
1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine
CID 138663364
(3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene
CID 142082634
1-[(3S,4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine;dihydrate
CID 142599479
Pyrrolidine;2-(thiolan-3-ylsulfanyl)thiophene
CID 142599505
N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 143375759
2-Thienyl diisopropyldithiocarbamate
CID 12933114
2-(Thiophen-2-ylsulfanylmethyl)pyrrolidine
CID 61686507
3-Thiophen-2-ylsulfanylpyrrolidine
CID 62329307
3-Pyrrolidin-1-yl-4-thiophen-2-ylsulfonylthiolane 1,1-dioxide
CID 73726881
(2S)-2-(thiophen-2-ylsulfanylmethyl)pyrrolidine
CID 93958308

Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine?
The IUPAC name of 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine (CID 138663344) is 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine.
What is the SMILES notation for 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine?
The canonical SMILES for 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine is c1csc(SC2CSCC2N2CCCC2)c1.
What is the InChIKey of 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine?
The InChIKey is DCFQKURJSKBQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS3/c1-2-6-13(5-1)10-8-14-9-11(10)16-12-4-3-7-15-12/h3-4,7,10-11H,1-2,5-6,8-9H2.
What are the key properties of 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine?
1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine has a molecular weight of 271.48 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-ylsulfanylthiolan-3-yl)pyrrolidine is sourced from PubChem (CID 138663344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).