N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide

C24H41N3O3S — CID 70939448

IUPACN-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCCC1(CC)CN(c2ccc(NCC3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CCO1
InChIInChI=1S/C24H41N3O3S/c1-5-24(6-2)18-27(15-16-30-24)23-13-11-21(12-14-23)25-17-20-7-9-22(10-8-20)26-31(28,29)19(3)4/h11-14,19-20,22,25-26H,5-10,15-18H2,1-4H3
InChIKeyMPJVBCRTNZIIAH-UHFFFAOYSA-N
MW451.68 g/mol
LogP4.38
Rot. Bonds9

About N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70939448) has the molecular formula C24H41N3O3S and a molecular weight of 451.68 g/mol. Its IUPAC name is N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70939448
Molecular FormulaC24H41N3O3S
Molecular Weight451.68 g/mol
Exact Mass451.29
IUPAC NameN-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCCC1(CC)CN(c2ccc(NCC3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CCO1
InChIInChI=1S/C24H41N3O3S/c1-5-24(6-2)18-27(15-16-30-24)23-13-11-21(12-14-23)25-17-20-7-9-22(10-8-20)26-31(28,29)19(3)4/h11-14,19-20,22,25-26H,5-10,15-18H2,1-4H3
InChIKeyMPJVBCRTNZIIAH-UHFFFAOYSA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.68
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
N-[4-[[4-(2,5-dihydropyrrol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230320
N-[4-[[4-[(2R,6S)-3-fluoro-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376791
N-[4-[[4-(2,6-dimethyloxan-4-yl)oxyanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939123
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376576
2-methyl-N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]butane-2-sulfonamide
CID 70939620
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519
4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]aniline
CID 59231458
N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939085
N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938861
4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide
CID 20629964
N-[4-[[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoroanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59231152

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 70939448) is N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is CCC1(CC)CN(c2ccc(NCC3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CCO1.
What is the InChIKey of N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is MPJVBCRTNZIIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O3S/c1-5-24(6-2)18-27(15-16-30-24)23-13-11-21(12-14-23)25-17-20-7-9-22(10-8-20)26-31(28,29)19(3)4/h11-14,19-20,22,25-26H,5-10,15-18H2,1-4H3.
What are the key properties of N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 451.68 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70939448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).