4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine

C15H23N3O4S — CID 4991638

IUPAC4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C15H23N3O4S/c16-14-10-13(23(19,20)18-5-8-21-9-6-18)3-4-15(14)17-11-12-2-1-7-22-12/h3-4,10,12,17H,1-2,5-9,11,16H2
InChIKeyHRCBFELAVHZPAV-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.88
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine

4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine (PubChem CID 4991638) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
PubChem CID4991638
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C15H23N3O4S/c16-14-10-13(23(19,20)18-5-8-21-9-6-18)3-4-15(14)17-11-12-2-1-7-22-12/h3-4,10,12,17H,1-2,5-9,11,16H2
InChIKeyHRCBFELAVHZPAV-UHFFFAOYSA-N
XLogP0.88
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-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-morpholin-4-ylsulfonyl-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 9187073
2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzenesulfonamide
CID 40927945
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
CID 25347481
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845
N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412
2-nitro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylaniline
CID 9187100
1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
CID 51933841
1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
CID 25415439
2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 55574910

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine (CID 4991638) is 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine is Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is HRCBFELAVHZPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c16-14-10-13(23(19,20)18-5-8-21-9-6-18)3-4-15(14)17-11-12-2-1-7-22-12/h3-4,10,12,17H,1-2,5-9,11,16H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 341.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 4991638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).