N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide

C10H22N2O4S2 — CID 3575827

IUPACN-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C10H22N2O4S2/c1-3-17(13,14)11-9-5-7-10(8-6-9)12-18(15,16)4-2/h9-12H,3-8H2,1-2H3
InChIKeyOQWIIDWVKVBNFS-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.18
Rot. Bonds6

About N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide

N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide (PubChem CID 3575827) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide
PubChem CID3575827
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC NameN-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C10H22N2O4S2/c1-3-17(13,14)11-9-5-7-10(8-6-9)12-18(15,16)4-2/h9-12H,3-8H2,1-2H3
InChIKeyOQWIIDWVKVBNFS-UHFFFAOYSA-N
XLogP0.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide (CID 3575827) is N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(NS(=O)(=O)CC)CC1.
What is the InChIKey of N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide?
The InChIKey is OQWIIDWVKVBNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-3-17(13,14)11-9-5-7-10(8-6-9)12-18(15,16)4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide?
N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide has a molecular weight of 298.43 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 3575827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).