4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide

C13H21N3O4S2 — CID 120824790

IUPAC4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H21N3O4S2/c1-10(14-2)9-15-21(17,18)12-5-7-13(8-6-12)22(19,20)16-11-3-4-11/h5-8,10-11,14-16H,3-4,9H2,1-2H3
InChIKeyDEQZJMMREORAIF-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.01
Rot. Bonds8

About 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide

4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide (PubChem CID 120824790) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
PubChem CID120824790
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC Name4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H21N3O4S2/c1-10(14-2)9-15-21(17,18)12-5-7-13(8-6-12)22(19,20)16-11-3-4-11/h5-8,10-11,14-16H,3-4,9H2,1-2H3
InChIKeyDEQZJMMREORAIF-UHFFFAOYSA-N
XLogP0.01
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
1-N-(cyclopropylsulfamoyl)-2-N-methylpropane-1,2-diamine
CID 103512559
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-N-cyclopropyl-1-N-[3-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 119964978
3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride
CID 120664523
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83186685

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide (CID 120824790) is 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide is CNC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide?
The InChIKey is DEQZJMMREORAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-10(14-2)9-15-21(17,18)12-5-7-13(8-6-12)22(19,20)16-11-3-4-11/h5-8,10-11,14-16H,3-4,9H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide?
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide has a molecular weight of 347.46 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 120824790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).