(3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane

C9H18O3S — CID 121261761

IUPAC(3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane
SMILESCC(C)O[C@@H]1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C9H18O3S/c1-7(2)12-8-4-5-9(6-8)13(3,10)11/h7-9H,4-6H2,1-3H3/t8-,9?/m1/s1
InChIKeyKODDAIHRLAFYSU-VEDVMXKPSA-N
MW206.31 g/mol
LogP1.38
Rot. Bonds3

About (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane

(3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane (PubChem CID 121261761) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane.

Molecular Properties

Compound Name(3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane
PubChem CID121261761
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane
SMILESCC(C)O[C@@H]1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C9H18O3S/c1-7(2)12-8-4-5-9(6-8)13(3,10)11/h7-9H,4-6H2,1-3H3/t8-,9?/m1/s1
InChIKeyKODDAIHRLAFYSU-VEDVMXKPSA-N
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane?
The IUPAC name of (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane (CID 121261761) is (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane.
What is the SMILES notation for (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane?
The canonical SMILES for (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane is CC(C)O[C@@H]1CCC(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane?
The InChIKey is KODDAIHRLAFYSU-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H18O3S/c1-7(2)12-8-4-5-9(6-8)13(3,10)11/h7-9H,4-6H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane?
(3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane has a molecular weight of 206.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane is sourced from PubChem (CID 121261761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).