(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride

C8H18ClNS — CID 67294223

IUPAC(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
SMILESCC(C)(C)S[C@@H]1CCNC1.Cl
InChIInChI=1S/C8H17NS.ClH/c1-8(2,3)10-7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m1./s1
InChIKeyQKTZQNYMHYGOHE-OGFXRTJISA-N
MW195.76 g/mol
LogP2.30
Rot. Bonds1

About (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride

(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride (PubChem CID 67294223) has the molecular formula C8H18ClNS and a molecular weight of 195.76 g/mol. Its IUPAC name is (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
PubChem CID67294223
Molecular FormulaC8H18ClNS
Molecular Weight195.76 g/mol
Exact Mass195.08
IUPAC Name(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
SMILESCC(C)(C)S[C@@H]1CCNC1.Cl
InChIInChI=1S/C8H17NS.ClH/c1-8(2,3)10-7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m1./s1
InChIKeyQKTZQNYMHYGOHE-OGFXRTJISA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride?
The IUPAC name of (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride (CID 67294223) is (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride.
What is the SMILES notation for (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride?
The canonical SMILES for (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride is CC(C)(C)S[C@@H]1CCNC1.Cl.
What is the InChIKey of (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride?
The InChIKey is QKTZQNYMHYGOHE-OGFXRTJISA-N. The full InChI is InChI=1S/C8H17NS.ClH/c1-8(2,3)10-7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m1./s1.
What are the key properties of (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride?
(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride has a molecular weight of 195.76 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride is sourced from PubChem (CID 67294223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).