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

C16H24N2O3S — CID 21192616

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(Nc2ccc(CN3CCOCC3)cc2)CC1
InChIInChI=1S/C16H24N2O3S/c19-22(20)11-5-16(6-12-22)17-15-3-1-14(2-4-15)13-18-7-9-21-10-8-18/h1-4,16-17H,5-13H2
InChIKeyBSWDBONFLRCCKV-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.51
Rot. Bonds4

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

N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine (PubChem CID 21192616) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine
PubChem CID21192616
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(Nc2ccc(CN3CCOCC3)cc2)CC1
InChIInChI=1S/C16H24N2O3S/c19-22(20)11-5-16(6-12-22)17-15-3-1-14(2-4-15)13-18-7-9-21-10-8-18/h1-4,16-17H,5-13H2
InChIKeyBSWDBONFLRCCKV-UHFFFAOYSA-N
XLogP1.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine
CID 63162966
N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
CID 21192595
1,1-dioxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thian-4-amine
CID 43673426
N-(4-ethylphenyl)-1,1-dioxothian-4-amine
CID 43511548
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]oxolan-3-amine
CID 82726679
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
2,2-dimethyl-3-[4-(morpholin-4-ylmethyl)anilino]cyclobutan-1-ol
CID 115972171
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
4-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113107862
2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720805

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine (CID 21192616) is N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine is O=S1(=O)CCC(Nc2ccc(CN3CCOCC3)cc2)CC1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine?
The InChIKey is BSWDBONFLRCCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-22(20)11-5-16(6-12-22)17-15-3-1-14(2-4-15)13-18-7-9-21-10-8-18/h1-4,16-17H,5-13H2.
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine?
N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine has a molecular weight of 324.45 g/mol, XLogP of 1.51, 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-dioxothian-4-amine is sourced from PubChem (CID 21192616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).