(2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide

C7H12O2S — CID 15984705

IUPAC(2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCCC[C@@H]1C=CCS1(=O)=O
InChIInChI=1S/C7H12O2S/c1-2-4-7-5-3-6-10(7,8)9/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1
InChIKeySTZAXNQPWVUKPN-SSDOTTSWSA-N
MW160.24 g/mol
LogP1.14
Rot. Bonds2

About (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide

(2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 15984705) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name(2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID15984705
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name(2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCCC[C@@H]1C=CCS1(=O)=O
InChIInChI=1S/C7H12O2S/c1-2-4-7-5-3-6-10(7,8)9/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1
InChIKeySTZAXNQPWVUKPN-SSDOTTSWSA-N
XLogP1.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide
CID 24839
Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
Thiophene, 2,5-dihydro-2-methyl-, 1,1-dioxide
CID 22330
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
(3S)-3-tert-butylsulfonylcyclohexene
CID 10932538
7-Methyl-2,3,4,5-tetrahydrothiepine 1-oxide
CID 12738409
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
2-propyl-2H-thiete 1,1-dioxide
CID 21781766
Cyclopentenylsulfon
CID 57285083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide (CID 15984705) is (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide is CCC[C@@H]1C=CCS1(=O)=O.
What is the InChIKey of (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is STZAXNQPWVUKPN-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-4-7-5-3-6-10(7,8)9/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide?
(2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 160.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 15984705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).