1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one

C22H42N2O4S — CID 57254645

IUPAC1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one
SMILESCCC[C@H]1CN(S(C)(=O)=O)CC1C(=O)CCCCCCCCCN1CCOCC1
InChIInChI=1S/C22H42N2O4S/c1-3-11-20-18-24(29(2,26)27)19-21(20)22(25)12-9-7-5-4-6-8-10-13-23-14-16-28-17-15-23/h20-21H,3-19H2,1-2H3/t20-,21?/m0/s1
InChIKeyQTBWAHVZVQQZTJ-BGERDNNASA-N
MW430.66 g/mol
LogP3.32
Rot. Bonds14

About 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one

1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one (PubChem CID 57254645) has the molecular formula C22H42N2O4S and a molecular weight of 430.66 g/mol. Its IUPAC name is 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one.

Molecular Properties

Compound Name1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one
PubChem CID57254645
Molecular FormulaC22H42N2O4S
Molecular Weight430.66 g/mol
Exact Mass430.29
IUPAC Name1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one
SMILESCCC[C@H]1CN(S(C)(=O)=O)CC1C(=O)CCCCCCCCCN1CCOCC1
InChIInChI=1S/C22H42N2O4S/c1-3-11-20-18-24(29(2,26)27)19-21(20)22(25)12-9-7-5-4-6-8-10-13-23-14-16-28-17-15-23/h20-21H,3-19H2,1-2H3/t20-,21?/m0/s1
InChIKeyQTBWAHVZVQQZTJ-BGERDNNASA-N
XLogP3.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 53.32
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

1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-4-pyrrolidin-1-ylbutan-1-one
CID 57228211
2-(azepin-1-yl)-1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]ethanone
CID 57258498
1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]prop-2-en-1-one
CID 57148347
3-piperidin-1-yl-1-[(4R)-4-propyl-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidin-3-yl]propan-1-one
CID 57224629
4-hexylmorpholine
CID 3614751
(3aS,6R,6aR)-4-methylsulfonyl-1-(6-morpholin-4-ylhexanoyl)-6-propyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 18395833
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
1-hexyl-4-methylsulfonylpiperazine
CID 91481078
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
4-hexyl-1,4-oxazepane
CID 166849903
N-methyl-7-morpholin-4-ylheptanamide
CID 176680363
3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one
CID 57090730

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one?
The IUPAC name of 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one (CID 57254645) is 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one.
What is the SMILES notation for 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one?
The canonical SMILES for 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one is CCC[C@H]1CN(S(C)(=O)=O)CC1C(=O)CCCCCCCCCN1CCOCC1.
What is the InChIKey of 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one?
The InChIKey is QTBWAHVZVQQZTJ-BGERDNNASA-N. The full InChI is InChI=1S/C22H42N2O4S/c1-3-11-20-18-24(29(2,26)27)19-21(20)22(25)12-9-7-5-4-6-8-10-13-23-14-16-28-17-15-23/h20-21H,3-19H2,1-2H3/t20-,21?/m0/s1.
What are the key properties of 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one?
1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one has a molecular weight of 430.66 g/mol, XLogP of 3.32, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-10-morpholin-4-yldecan-1-one is sourced from PubChem (CID 57254645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).