1-propan-2-ylsulfonyl-1-propylcyclooctane

C14H28O2S — CID 123157510

IUPAC1-propan-2-ylsulfonyl-1-propylcyclooctane
SMILESCCCC1(S(=O)(=O)C(C)C)CCCCCCC1
InChIInChI=1S/C14H28O2S/c1-4-10-14(17(15,16)13(2)3)11-8-6-5-7-9-12-14/h13H,4-12H2,1-3H3
InChIKeyPPDIIUHJWVTSMH-UHFFFAOYSA-N
MW260.44 g/mol
LogP4.09
Rot. Bonds4

About 1-propan-2-ylsulfonyl-1-propylcyclooctane

1-propan-2-ylsulfonyl-1-propylcyclooctane (PubChem CID 123157510) has the molecular formula C14H28O2S and a molecular weight of 260.44 g/mol. Its IUPAC name is 1-propan-2-ylsulfonyl-1-propylcyclooctane.

Molecular Properties

Compound Name1-propan-2-ylsulfonyl-1-propylcyclooctane
PubChem CID123157510
Molecular FormulaC14H28O2S
Molecular Weight260.44 g/mol
Exact Mass260.18
IUPAC Name1-propan-2-ylsulfonyl-1-propylcyclooctane
SMILESCCCC1(S(=O)(=O)C(C)C)CCCCCCC1
InChIInChI=1S/C14H28O2S/c1-4-10-14(17(15,16)13(2)3)11-8-6-5-7-9-12-14/h13H,4-12H2,1-3H3
InChIKeyPPDIIUHJWVTSMH-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propan-2-ylsulfonylcyclobutyl)methanol
CID 117037527
1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid
CID 115040278
N-[(1-propylcyclopropyl)methyl]propane-2-sulfonamide
CID 103761867
1-ethoxy-1-propylcyclohexane
CID 154221474
1-propan-2-yl-1-propan-2-ylsulfonylcyclopropane
CID 130465511
1-bromo-1-propylcyclohexane
CID 23364805
N-[1-(aminomethyl)cycloheptyl]-N-propylpropane-2-sulfonamide
CID 62008030
N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide
CID 58821714
1-(2-propan-2-ylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 106727790
1-(2-propan-2-ylsulfonylethyl)cycloheptane-1-carboxylic acid
CID 106734099
1-propylcyclooctane-1-carboxylic acid
CID 80611944
methanamine;1-methyl-1-propylcyclohexane
CID 143166123

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonyl-1-propylcyclooctane?
The IUPAC name of 1-propan-2-ylsulfonyl-1-propylcyclooctane (CID 123157510) is 1-propan-2-ylsulfonyl-1-propylcyclooctane.
What is the SMILES notation for 1-propan-2-ylsulfonyl-1-propylcyclooctane?
The canonical SMILES for 1-propan-2-ylsulfonyl-1-propylcyclooctane is CCCC1(S(=O)(=O)C(C)C)CCCCCCC1.
What is the InChIKey of 1-propan-2-ylsulfonyl-1-propylcyclooctane?
The InChIKey is PPDIIUHJWVTSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2S/c1-4-10-14(17(15,16)13(2)3)11-8-6-5-7-9-12-14/h13H,4-12H2,1-3H3.
What are the key properties of 1-propan-2-ylsulfonyl-1-propylcyclooctane?
1-propan-2-ylsulfonyl-1-propylcyclooctane has a molecular weight of 260.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonyl-1-propylcyclooctane is sourced from PubChem (CID 123157510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).