N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide

C15H30N2O3S — CID 35764241

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H30N2O3S/c1-2-3-13-21(18,19)16-14-15(7-5-4-6-8-15)17-9-11-20-12-10-17/h16H,2-14H2,1H3
InChIKeyJXJAGOQMYXPXOT-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.74
Rot. Bonds7

About N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide (PubChem CID 35764241) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide
PubChem CID35764241
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H30N2O3S/c1-2-3-13-21(18,19)16-14-15(7-5-4-6-8-15)17-9-11-20-12-10-17/h16H,2-14H2,1H3
InChIKeyJXJAGOQMYXPXOT-UHFFFAOYSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]propane-1-sulfonamide
CID 78793817
3-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]propane-1-sulfonamide
CID 72112328
N-[(1-morpholin-4-ylcyclopropyl)methyl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
CID 128577521
4-[1-[(Dimethylsulfamoylamino)methyl]cyclohexyl]morpholine
CID 35304112
[1-(4-Propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561727
6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide
CID 70992468
N-[(1-morpholin-4-ylcyclohexyl)methyl]methanesulfonamide
CID 47108533
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172685
N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175653
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide
CID 56790202
1-cyclohexyl-N-[1-(2-methoxyethyl)piperidin-3-yl]methanesulfonamide
CID 60268191
N-(3-ethyl-2-morpholin-4-ylpentyl)butane-1-sulfonamide
CID 60568329

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide (CID 35764241) is N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide?
The InChIKey is JXJAGOQMYXPXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-2-3-13-21(18,19)16-14-15(7-5-4-6-8-15)17-9-11-20-12-10-17/h16H,2-14H2,1H3.
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 35764241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).