N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide

C15H23NO5S2 — CID 146539235

IUPACN-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide
SMILESO=C1C2CC(C3CCCC23)C1S(=O)(=O)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H23NO5S2/c17-14-12-8-13(11-7-3-6-10(11)12)15(14)23(20,21)16-22(18,19)9-4-1-2-5-9/h9-13,15-16H,1-8H2
InChIKeyNZCUCDKRDZANII-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.18
Rot. Bonds4

About N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide

N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide (PubChem CID 146539235) has the molecular formula C15H23NO5S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide.

Molecular Properties

Compound NameN-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide
PubChem CID146539235
Molecular FormulaC15H23NO5S2
Molecular Weight361.49 g/mol
Exact Mass361.10
IUPAC NameN-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide
SMILESO=C1C2CC(C3CCCC23)C1S(=O)(=O)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H23NO5S2/c17-14-12-8-13(11-7-3-6-10(11)12)15(14)23(20,21)16-22(18,19)9-4-1-2-5-9/h9-13,15-16H,1-8H2
InChIKeyNZCUCDKRDZANII-UHFFFAOYSA-N
XLogP1.18
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide?
The IUPAC name of N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide (CID 146539235) is N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide.
What is the SMILES notation for N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide?
The canonical SMILES for N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide is O=C1C2CC(C3CCCC23)C1S(=O)(=O)NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide?
The InChIKey is NZCUCDKRDZANII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S2/c17-14-12-8-13(11-7-3-6-10(11)12)15(14)23(20,21)16-22(18,19)9-4-1-2-5-9/h9-13,15-16H,1-8H2.
What are the key properties of N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide?
N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide is sourced from PubChem (CID 146539235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).