2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one

C19H34N2O3S — CID 55924772

IUPAC2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCCCCSC(C)C(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C19H34N2O3S/c1-5-6-11-25-16(4)18(22)20-9-7-17(8-10-20)19(23)21-12-14(2)24-15(3)13-21/h14-17H,5-13H2,1-4H3
InChIKeyNDUBWUUFYFMPNF-UHFFFAOYSA-N
MW370.56 g/mol
LogP2.78
Rot. Bonds6

About 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one

2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 55924772) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID55924772
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC Name2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCCCCSC(C)C(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C19H34N2O3S/c1-5-6-11-25-16(4)18(22)20-9-7-17(8-10-20)19(23)21-12-14(2)24-15(3)13-21/h14-17H,5-13H2,1-4H3
InChIKeyNDUBWUUFYFMPNF-UHFFFAOYSA-N
XLogP2.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one (CID 55924772) is 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one is CCCCSC(C)C(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is NDUBWUUFYFMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-5-6-11-25-16(4)18(22)20-9-7-17(8-10-20)19(23)21-12-14(2)24-15(3)13-21/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 370.56 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55924772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).