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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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine
CID 21192616
N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
CID 21192595
1,1-dioxo-N-(4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 55025310
4-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113107862
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]oxolan-3-amine
CID 82726679
N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105920
2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
1,1-dioxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thian-4-amine
CID 43673426
N-(1,1-dioxothiolan-3-yl)-1,3-dihydro-2-benzofuran-5-amine
CID 113373403
N-[(3R)-1,1-dioxothiolan-3-yl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 7116120
N-(4-ethylphenyl)-1,1-dioxothian-4-amine
CID 43511548

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).