N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine

C15H22N2O3S — CID 63162966

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(Nc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C15H22N2O3S/c18-21(19)10-5-15(12-21)16-14-3-1-13(2-4-14)11-17-6-8-20-9-7-17/h1-4,15-16H,5-12H2
InChIKeyCFBJVHDMSIDGQD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.12
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine

N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine (PubChem CID 63162966) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine
PubChem CID63162966
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(Nc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C15H22N2O3S/c18-21(19)10-5-15(12-21)16-14-3-1-13(2-4-14)11-17-6-8-20-9-7-17/h1-4,15-16H,5-12H2
InChIKeyCFBJVHDMSIDGQD-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine (CID 63162966) is N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(Nc2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine?
The InChIKey is CFBJVHDMSIDGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-21(19)10-5-15(12-21)16-14-3-1-13(2-4-14)11-17-6-8-20-9-7-17/h1-4,15-16H,5-12H2.
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine?
N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine has a molecular weight of 310.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63162966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).