6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid

C20H39N3O5S — CID 70872711

IUPAC6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid
SMILESO=C(O)NCCCCCCNS(=O)(=O)C1(CCCN2CCOCC2)CCCCC1
InChIInChI=1S/C20H39N3O5S/c24-19(25)21-12-6-1-2-7-13-22-29(26,27)20(9-4-3-5-10-20)11-8-14-23-15-17-28-18-16-23/h21-22H,1-18H2,(H,24,25)
InChIKeyKATNANKPOSGNLD-UHFFFAOYSA-N
MW433.62 g/mol
LogP2.55
Rot. Bonds13

About 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid

6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid (PubChem CID 70872711) has the molecular formula C20H39N3O5S and a molecular weight of 433.62 g/mol. Its IUPAC name is 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid.

Molecular Properties

Compound Name6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid
PubChem CID70872711
Molecular FormulaC20H39N3O5S
Molecular Weight433.62 g/mol
Exact Mass433.26
IUPAC Name6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid
SMILESO=C(O)NCCCCCCNS(=O)(=O)C1(CCCN2CCOCC2)CCCCC1
InChIInChI=1S/C20H39N3O5S/c24-19(25)21-12-6-1-2-7-13-22-29(26,27)20(9-4-3-5-10-20)11-8-14-23-15-17-28-18-16-23/h21-22H,1-18H2,(H,24,25)
InChIKeyKATNANKPOSGNLD-UHFFFAOYSA-N
XLogP2.55
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 70872495
4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine
CID 70872933
6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid
CID 67127697
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide
CID 43384645
1-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylic acid
CID 22660163
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid?
The IUPAC name of 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid (CID 70872711) is 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid.
What is the SMILES notation for 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid?
The canonical SMILES for 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid is O=C(O)NCCCCCCNS(=O)(=O)C1(CCCN2CCOCC2)CCCCC1.
What is the InChIKey of 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid?
The InChIKey is KATNANKPOSGNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O5S/c24-19(25)21-12-6-1-2-7-13-22-29(26,27)20(9-4-3-5-10-20)11-8-14-23-15-17-28-18-16-23/h21-22H,1-18H2,(H,24,25).
What are the key properties of 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid?
6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid has a molecular weight of 433.62 g/mol, XLogP of 2.55, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid is sourced from PubChem (CID 70872711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).