N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide

C12H26N2O4S2 — CID 47108386

IUPACN-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(NS(=O)(=O)CCC)CC1
InChIInChI=1S/C12H26N2O4S2/c1-3-9-19(15,16)13-11-5-7-12(8-6-11)14-20(17,18)10-4-2/h11-14H,3-10H2,1-2H3
InChIKeyLEWSOPBXECMHLF-UHFFFAOYSA-N
MW326.48 g/mol
LogP0.96
Rot. Bonds8

About N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide

N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide (PubChem CID 47108386) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide
PubChem CID47108386
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC NameN-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(NS(=O)(=O)CCC)CC1
InChIInChI=1S/C12H26N2O4S2/c1-3-9-19(15,16)13-11-5-7-12(8-6-11)14-20(17,18)10-4-2/h11-14H,3-10H2,1-2H3
InChIKeyLEWSOPBXECMHLF-UHFFFAOYSA-N
XLogP0.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide (CID 47108386) is N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCC(NS(=O)(=O)CCC)CC1.
What is the InChIKey of N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide?
The InChIKey is LEWSOPBXECMHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-3-9-19(15,16)13-11-5-7-12(8-6-11)14-20(17,18)10-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide?
N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide has a molecular weight of 326.48 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 47108386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).