(2S)-2-tert-butylsulfanylcyclobutan-1-one

C8H14OS — CID 166448988

IUPAC(2S)-2-tert-butylsulfanylcyclobutan-1-one
SMILESCC(C)(C)S[C@H]1CCC1=O
InChIInChI=1S/C8H14OS/c1-8(2,3)10-7-5-4-6(7)9/h7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyKPXXCOLWEOPOTP-ZETCQYMHSA-N
MW158.27 g/mol
LogP2.25
Rot. Bonds1

About (2S)-2-tert-butylsulfanylcyclobutan-1-one

(2S)-2-tert-butylsulfanylcyclobutan-1-one (PubChem CID 166448988) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (2S)-2-tert-butylsulfanylcyclobutan-1-one.

Molecular Properties

Compound Name(2S)-2-tert-butylsulfanylcyclobutan-1-one
PubChem CID166448988
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(2S)-2-tert-butylsulfanylcyclobutan-1-one
SMILESCC(C)(C)S[C@H]1CCC1=O
InChIInChI=1S/C8H14OS/c1-8(2,3)10-7-5-4-6(7)9/h7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyKPXXCOLWEOPOTP-ZETCQYMHSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butylsulfanylcyclobutan-1-one?
The IUPAC name of (2S)-2-tert-butylsulfanylcyclobutan-1-one (CID 166448988) is (2S)-2-tert-butylsulfanylcyclobutan-1-one.
What is the SMILES notation for (2S)-2-tert-butylsulfanylcyclobutan-1-one?
The canonical SMILES for (2S)-2-tert-butylsulfanylcyclobutan-1-one is CC(C)(C)S[C@H]1CCC1=O.
What is the InChIKey of (2S)-2-tert-butylsulfanylcyclobutan-1-one?
The InChIKey is KPXXCOLWEOPOTP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14OS/c1-8(2,3)10-7-5-4-6(7)9/h7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-tert-butylsulfanylcyclobutan-1-one?
(2S)-2-tert-butylsulfanylcyclobutan-1-one has a molecular weight of 158.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butylsulfanylcyclobutan-1-one is sourced from PubChem (CID 166448988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).