4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide

C14H23N3O4S2 — CID 55663677

IUPAC4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCCC1
InChIInChI=1S/C14H23N3O4S2/c1-17(2)14(9-3-4-10-14)11-16-23(20,21)13-7-5-12(6-8-13)22(15,18)19/h5-8,16H,3-4,9-11H2,1-2H3,(H2,15,18,19)
InChIKeyUOEFRJPHTLAZGO-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.49
Rot. Bonds6

About 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide

4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide (PubChem CID 55663677) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
PubChem CID55663677
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC Name4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCCC1
InChIInChI=1S/C14H23N3O4S2/c1-17(2)14(9-3-4-10-14)11-16-23(20,21)13-7-5-12(6-8-13)22(15,18)19/h5-8,16H,3-4,9-11H2,1-2H3,(H2,15,18,19)
InChIKeyUOEFRJPHTLAZGO-UHFFFAOYSA-N
XLogP0.49
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide 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-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 105419964
3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methoxybenzenesulfonamide
CID 105420140
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
CID 83114460
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
CID 105419464
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide (CID 55663677) is 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide is CN(C)C1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCCC1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide?
The InChIKey is UOEFRJPHTLAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-17(2)14(9-3-4-10-14)11-16-23(20,21)13-7-5-12(6-8-13)22(15,18)19/h5-8,16H,3-4,9-11H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide?
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide has a molecular weight of 361.49 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 55663677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).