N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide

C12H25N3O3S — CID 63765615

IUPACN-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide
SMILESNCCN(C1CCCCC1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O3S/c13-6-7-15(12-4-2-1-3-5-12)19(16,17)14-8-10-18-11-9-14/h12H,1-11,13H2
InChIKeyHGNDMJNUVRRTOP-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.16
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide

N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide (PubChem CID 63765615) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide
PubChem CID63765615
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide
SMILESNCCN(C1CCCCC1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O3S/c13-6-7-15(12-4-2-1-3-5-12)19(16,17)14-8-10-18-11-9-14/h12H,1-11,13H2
InChIKeyHGNDMJNUVRRTOP-UHFFFAOYSA-N
XLogP0.16
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide (CID 63765615) is N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide is NCCN(C1CCCCC1)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide?
The InChIKey is HGNDMJNUVRRTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c13-6-7-15(12-4-2-1-3-5-12)19(16,17)14-8-10-18-11-9-14/h12H,1-11,13H2.
What are the key properties of N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide?
N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide is sourced from PubChem (CID 63765615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).