1-(2-methylpropylsulfonylmethyl)adamantane

C15H26O2S — CID 58815179

IUPAC1-(2-methylpropylsulfonylmethyl)adamantane
SMILESCC(C)CS(=O)(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O2S/c1-11(2)9-18(16,17)10-15-6-12-3-13(7-15)5-14(4-12)8-15/h11-14H,3-10H2,1-2H3
InChIKeyNNODLNMEWSBPKN-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.27
Rot. Bonds4

About 1-(2-methylpropylsulfonylmethyl)adamantane

1-(2-methylpropylsulfonylmethyl)adamantane (PubChem CID 58815179) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonylmethyl)adamantane.

Molecular Properties

Compound Name1-(2-methylpropylsulfonylmethyl)adamantane
PubChem CID58815179
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name1-(2-methylpropylsulfonylmethyl)adamantane
SMILESCC(C)CS(=O)(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O2S/c1-11(2)9-18(16,17)10-15-6-12-3-13(7-15)5-14(4-12)8-15/h11-14H,3-10H2,1-2H3
InChIKeyNNODLNMEWSBPKN-UHFFFAOYSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonylmethyl)adamantane?
The IUPAC name of 1-(2-methylpropylsulfonylmethyl)adamantane (CID 58815179) is 1-(2-methylpropylsulfonylmethyl)adamantane.
What is the SMILES notation for 1-(2-methylpropylsulfonylmethyl)adamantane?
The canonical SMILES for 1-(2-methylpropylsulfonylmethyl)adamantane is CC(C)CS(=O)(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-methylpropylsulfonylmethyl)adamantane?
The InChIKey is NNODLNMEWSBPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c1-11(2)9-18(16,17)10-15-6-12-3-13(7-15)5-14(4-12)8-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfonylmethyl)adamantane?
1-(2-methylpropylsulfonylmethyl)adamantane has a molecular weight of 270.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonylmethyl)adamantane is sourced from PubChem (CID 58815179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).