2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene

C11H14S — CID 59774094

IUPAC2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene
SMILESCc1ccsc1[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C11H14S/c1-7-4-5-12-11(7)10-6-9(10)8-2-3-8/h4-5,8-10H,2-3,6H2,1H3/t9-,10+/m0/s1
InChIKeyNQTBUOBOKMOMSM-VHSXEESVSA-N
MW178.30 g/mol
LogP3.57
Rot. Bonds2

About 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene

2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene (PubChem CID 59774094) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene
PubChem CID59774094
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene
SMILESCc1ccsc1[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C11H14S/c1-7-4-5-12-11(7)10-6-9(10)8-2-3-8/h4-5,8-10H,2-3,6H2,1H3/t9-,10+/m0/s1
InChIKeyNQTBUOBOKMOMSM-VHSXEESVSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene?
The IUPAC name of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene (CID 59774094) is 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene.
What is the SMILES notation for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene?
The canonical SMILES for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene is Cc1ccsc1[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene?
The InChIKey is NQTBUOBOKMOMSM-VHSXEESVSA-N. The full InChI is InChI=1S/C11H14S/c1-7-4-5-12-11(7)10-6-9(10)8-2-3-8/h4-5,8-10H,2-3,6H2,1H3/t9-,10+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene?
2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene has a molecular weight of 178.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene is sourced from PubChem (CID 59774094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).