N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide

C12H23NO3S — CID 15489190

IUPACN-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO3S/c1-9(2)17(15,16)13-8-10(3)11-4-6-12(14)7-5-11/h9-11,13H,4-8H2,1-3H3
InChIKeyOBPZXXAQONVHJE-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide

N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide (PubChem CID 15489190) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide
PubChem CID15489190
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO3S/c1-9(2)17(15,16)13-8-10(3)11-4-6-12(14)7-5-11/h9-11,13H,4-8H2,1-3H3
InChIKeyOBPZXXAQONVHJE-UHFFFAOYSA-N
XLogP1.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide (CID 15489190) is N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCC(=O)CC1.
What is the InChIKey of N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide?
The InChIKey is OBPZXXAQONVHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-9(2)17(15,16)13-8-10(3)11-4-6-12(14)7-5-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide?
N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 15489190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).