4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine

C19H36N3O5S- — CID 70872933

IUPAC4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine
SMILESO=C(O)NCCCCCCN(S(=O)[O-])C1(CCCN2CCOCC2)CCCC1
InChIInChI=1S/C19H37N3O5S/c23-18(24)20-11-5-1-2-6-13-22(28(25)26)19(8-3-4-9-19)10-7-12-21-14-16-27-17-15-21/h20H,1-17H2,(H,23,24)(H,25,26)/p-1
InChIKeyXGLSOFREIPMVKM-UHFFFAOYSA-M
MW418.58 g/mol
LogP2.34
Rot. Bonds13

About 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine

4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine (PubChem CID 70872933) has the molecular formula C19H36N3O5S- and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine
PubChem CID70872933
Molecular FormulaC19H36N3O5S-
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine
SMILESO=C(O)NCCCCCCN(S(=O)[O-])C1(CCCN2CCOCC2)CCCC1
InChIInChI=1S/C19H37N3O5S/c23-18(24)20-11-5-1-2-6-13-22(28(25)26)19(8-3-4-9-19)10-7-12-21-14-16-27-17-15-21/h20H,1-17H2,(H,23,24)(H,25,26)/p-1
InChIKeyXGLSOFREIPMVKM-UHFFFAOYSA-M
XLogP2.34
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[1-(3-morpholin-4-ylpropyl)cyclohexyl]sulfonylamino]hexylcarbamic acid
CID 70872711
6-[cyclohexyl(3-morpholin-4-ylpropyl)amino]hexylcarbamic acid
CID 67127697
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
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
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097
5-piperazin-1-ylpentylcarbamic acid
CID 166666960
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
1-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylic acid
CID 22660163
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine?
The IUPAC name of 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine (CID 70872933) is 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine is O=C(O)NCCCCCCN(S(=O)[O-])C1(CCCN2CCOCC2)CCCC1.
What is the InChIKey of 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine?
The InChIKey is XGLSOFREIPMVKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H37N3O5S/c23-18(24)20-11-5-1-2-6-13-22(28(25)26)19(8-3-4-9-19)10-7-12-21-14-16-27-17-15-21/h20H,1-17H2,(H,23,24)(H,25,26)/p-1.
What are the key properties of 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine?
4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine has a molecular weight of 418.58 g/mol, XLogP of 2.34, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[6-(carboxyamino)hexyl-sulfinatoamino]cyclopentyl]propyl]morpholine is sourced from PubChem (CID 70872933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).