(3R)-3-propylsulfanylpyrrolidine

C7H15NS — CID 89159387

IUPAC(3R)-3-propylsulfanylpyrrolidine
SMILESCCCS[C@@H]1CCNC1
InChIInChI=1S/C7H15NS/c1-2-5-9-7-3-4-8-6-7/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyBVBDOXNOALRVLF-SSDOTTSWSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds3

About (3R)-3-propylsulfanylpyrrolidine

(3R)-3-propylsulfanylpyrrolidine (PubChem CID 89159387) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (3R)-3-propylsulfanylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-propylsulfanylpyrrolidine
PubChem CID89159387
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(3R)-3-propylsulfanylpyrrolidine
SMILESCCCS[C@@H]1CCNC1
InChIInChI=1S/C7H15NS/c1-2-5-9-7-3-4-8-6-7/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyBVBDOXNOALRVLF-SSDOTTSWSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethylsulfanylpyrrolidine
CID 143798471
3-pyrrolidin-3-ylsulfanylpropan-1-ol
CID 66127251
3-(2-methylpropylsulfanyl)pyrrolidine
CID 62329471
3-(2-methylbutylsulfanyl)pyrrolidine
CID 107754752
2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
CID 66229673
(3R)-3-methylsulfanylpyrrolidine
CID 94401655
propylsulfanylcyclopentane
CID 534899
methyl 2-pyrrolidin-3-ylsulfanylacetate
CID 62327248
S-pyrrolidin-3-yl propanethioate
CID 175253290
N-propylsulfanylpyrrolidin-3-amine
CID 143248486
4-piperidin-3-ylsulfanylbutan-2-amine
CID 66234590
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propylsulfanylpyrrolidine?
The IUPAC name of (3R)-3-propylsulfanylpyrrolidine (CID 89159387) is (3R)-3-propylsulfanylpyrrolidine.
What is the SMILES notation for (3R)-3-propylsulfanylpyrrolidine?
The canonical SMILES for (3R)-3-propylsulfanylpyrrolidine is CCCS[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-propylsulfanylpyrrolidine?
The InChIKey is BVBDOXNOALRVLF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-5-9-7-3-4-8-6-7/h7-8H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-propylsulfanylpyrrolidine?
(3R)-3-propylsulfanylpyrrolidine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propylsulfanylpyrrolidine is sourced from PubChem (CID 89159387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).