4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine

C12H19N3S — CID 106324704

IUPAC4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine
SMILESNc1ccc(NCCN2CCSCC2)cc1
InChIInChI=1S/C12H19N3S/c13-11-1-3-12(4-2-11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10,13H2
InChIKeyRFAKSJYKYVGGGJ-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.73
Rot. Bonds4

About 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine

4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine (PubChem CID 106324704) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine
PubChem CID106324704
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine
SMILESNc1ccc(NCCN2CCSCC2)cc1
InChIInChI=1S/C12H19N3S/c13-11-1-3-12(4-2-11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10,13H2
InChIKeyRFAKSJYKYVGGGJ-UHFFFAOYSA-N
XLogP1.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine 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

4-(2-thiomorpholin-4-ylethylamino)benzoic acid
CID 106325856
4-chloro-N-[2-(1,4-thiazepan-4-yl)ethyl]aniline
CID 62557767
5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine
CID 106324907
2-N-(2-thiomorpholin-4-ylethyl)-1,3-benzoxazole-2,6-diamine
CID 106324737
2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 114174035
methyl 5-amino-2-(2-thiomorpholin-4-ylethylamino)benzoate
CID 106326870
4-N-[2-[4-[2-(4-aminoanilino)ethyl]-4-prop-2-enylpiperazin-4-ium-1-yl]ethyl]benzene-1,4-diamine
CID 90369191
4-methyl-3-nitro-N-(2-thiomorpholin-4-ylethyl)aniline
CID 106326087
3-(2-thiomorpholin-4-ylethylamino)benzonitrile
CID 106325499
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
4-N-[2-[4-[3-(4-aminophenyl)propyl]-4-ethylpiperazin-4-ium-1-yl]ethyl]benzene-1,4-diamine
CID 159962051
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine (CID 106324704) is 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine is Nc1ccc(NCCN2CCSCC2)cc1.
What is the InChIKey of 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine?
The InChIKey is RFAKSJYKYVGGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c13-11-1-3-12(4-2-11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10,13H2.
What are the key properties of 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine?
4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine has a molecular weight of 237.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 106324704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).