4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide

C13H22N4O3S — CID 82900216

IUPAC4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide
SMILESCC(CN1CCOCC1)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H22N4O3S/c1-10(9-17-4-6-20-7-5-17)16-13-8-11(21(15,18)19)2-3-12(13)14/h2-3,8,10,16H,4-7,9,14H2,1H3,(H2,15,18,19)
InChIKeyGROJMASOCPFZCG-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.05
Rot. Bonds5

About 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide

4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide (PubChem CID 82900216) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide
PubChem CID82900216
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide
SMILESCC(CN1CCOCC1)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H22N4O3S/c1-10(9-17-4-6-20-7-5-17)16-13-8-11(21(15,18)19)2-3-12(13)14/h2-3,8,10,16H,4-7,9,14H2,1H3,(H2,15,18,19)
InChIKeyGROJMASOCPFZCG-UHFFFAOYSA-N
XLogP0.05
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 54965108
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 63593047
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)-2-nitroaniline
CID 60964780
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide (CID 82900216) is 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide is CC(CN1CCOCC1)Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide?
The InChIKey is GROJMASOCPFZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-10(9-17-4-6-20-7-5-17)16-13-8-11(21(15,18)19)2-3-12(13)14/h2-3,8,10,16H,4-7,9,14H2,1H3,(H2,15,18,19).
What are the key properties of 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide?
4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 82900216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).