2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide

C11H25N3O2S — CID 114384646

IUPAC2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide
SMILESCCNC1CCC(N(C)CCS(N)(=O)=O)CC1
InChIInChI=1S/C11H25N3O2S/c1-3-13-10-4-6-11(7-5-10)14(2)8-9-17(12,15)16/h10-11,13H,3-9H2,1-2H3,(H2,12,15,16)
InChIKeyLEZOWYDVHSHEKJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.13
Rot. Bonds6

About 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide

2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide (PubChem CID 114384646) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide
PubChem CID114384646
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide
SMILESCCNC1CCC(N(C)CCS(N)(=O)=O)CC1
InChIInChI=1S/C11H25N3O2S/c1-3-13-10-4-6-11(7-5-10)14(2)8-9-17(12,15)16/h10-11,13H,3-9H2,1-2H3,(H2,12,15,16)
InChIKeyLEZOWYDVHSHEKJ-UHFFFAOYSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide?
The IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide (CID 114384646) is 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide?
The canonical SMILES for 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide is CCNC1CCC(N(C)CCS(N)(=O)=O)CC1.
What is the InChIKey of 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide?
The InChIKey is LEZOWYDVHSHEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-13-10-4-6-11(7-5-10)14(2)8-9-17(12,15)16/h10-11,13H,3-9H2,1-2H3,(H2,12,15,16).
What are the key properties of 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide?
2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide is sourced from PubChem (CID 114384646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).