(3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine

C10H21NS — CID 140959015

IUPAC(3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
SMILESCC(C)S[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C10H21NS/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeySNOHFMOVZSWNMR-SNVBAGLBSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds3

About (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine

(3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine (PubChem CID 140959015) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
PubChem CID140959015
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
SMILESCC(C)S[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C10H21NS/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3/t10-/m1/s1
InChIKeySNOHFMOVZSWNMR-SNVBAGLBSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine?
The IUPAC name of (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine (CID 140959015) is (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine.
What is the SMILES notation for (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine?
The canonical SMILES for (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine is CC(C)S[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine?
The InChIKey is SNOHFMOVZSWNMR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine?
(3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine is sourced from PubChem (CID 140959015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).