3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide

C14H26N2O4S — CID 56750918

IUPAC3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide
SMILESCS(=O)(=O)N1CCOC(CNC(=O)CCC2CCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-21(18,19)16-8-9-20-13(11-16)10-15-14(17)7-6-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyDKBGVMJMMVSOOQ-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.73
Rot. Bonds6

About 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide

3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide (PubChem CID 56750918) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide
PubChem CID56750918
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide
SMILESCS(=O)(=O)N1CCOC(CNC(=O)CCC2CCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-21(18,19)16-8-9-20-13(11-16)10-15-14(17)7-6-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyDKBGVMJMMVSOOQ-UHFFFAOYSA-N
XLogP0.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
CID 124758885
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70709161
N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 95862912
(2S)-N-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methyl]-2-(3-cyclopentylpropanoylamino)-3-methylbutanamide
CID 11950864
3-(cyclopropylamino)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79082583
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
(2S,3S)-2-(3-cyclopentylpropanoylamino)-N-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl]-3-methylpentanamide
CID 11951925
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide (CID 56750918) is 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide is CS(=O)(=O)N1CCOC(CNC(=O)CCC2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide?
The InChIKey is DKBGVMJMMVSOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-21(18,19)16-8-9-20-13(11-16)10-15-14(17)7-6-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide?
3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide has a molecular weight of 318.44 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide is sourced from PubChem (CID 56750918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).