5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one

C19H35NO4S — CID 58144963

IUPAC5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one
SMILESCC(C)S(=O)(=O)CC1CCC(C(=O)CCCCN2CCOCC2)CC1
InChIInChI=1S/C19H35NO4S/c1-16(2)25(22,23)15-17-6-8-18(9-7-17)19(21)5-3-4-10-20-11-13-24-14-12-20/h16-18H,3-15H2,1-2H3
InChIKeyGTXUVCMUMBSTHS-UHFFFAOYSA-N
MW373.56 g/mol
LogP2.69
Rot. Bonds9

About 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one

5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one (PubChem CID 58144963) has the molecular formula C19H35NO4S and a molecular weight of 373.56 g/mol. Its IUPAC name is 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one.

Molecular Properties

Compound Name5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one
PubChem CID58144963
Molecular FormulaC19H35NO4S
Molecular Weight373.56 g/mol
Exact Mass373.23
IUPAC Name5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one
SMILESCC(C)S(=O)(=O)CC1CCC(C(=O)CCCCN2CCOCC2)CC1
InChIInChI=1S/C19H35NO4S/c1-16(2)25(22,23)15-17-6-8-18(9-7-17)19(21)5-3-4-10-20-11-13-24-14-12-20/h16-18H,3-15H2,1-2H3
InChIKeyGTXUVCMUMBSTHS-UHFFFAOYSA-N
XLogP2.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 58144026
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CID 106727073
1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrrolidin-1-ylphenyl)ethanone
CID 58144336
N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939760
2-(6-morpholin-4-ylhexyl)-3-propan-2-ylbut-2-enedioic acid
CID 154077710
2-(2-methylbutyl)-3-(4-morpholin-4-ylbutyl)but-2-enedioic acid
CID 154077740
3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
CID 82328609
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
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4-[3-(4-methylcyclohexyl)propyl]morpholine
CID 13157729
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
N-methyl-7-morpholin-4-ylheptanamide
CID 176680363
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one?
The IUPAC name of 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one (CID 58144963) is 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one.
What is the SMILES notation for 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one?
The canonical SMILES for 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one is CC(C)S(=O)(=O)CC1CCC(C(=O)CCCCN2CCOCC2)CC1.
What is the InChIKey of 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one?
The InChIKey is GTXUVCMUMBSTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4S/c1-16(2)25(22,23)15-17-6-8-18(9-7-17)19(21)5-3-4-10-20-11-13-24-14-12-20/h16-18H,3-15H2,1-2H3.
What are the key properties of 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one?
5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one has a molecular weight of 373.56 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one is sourced from PubChem (CID 58144963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).