3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C13H22N4O2S2 — CID 107855833

IUPAC3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCC1=CCCCC1
InChIInChI=1S/C13H22N4O2S2/c1-17(2)21(18,19)11-12(14)16-20-13(11)15-9-8-10-6-4-3-5-7-10/h6,15H,3-5,7-9H2,1-2H3,(H2,14,16)
InChIKeyXAVFRWIVUHRZEJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.28
Rot. Bonds6

About 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 107855833) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID107855833
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCC1=CCCCC1
InChIInChI=1S/C13H22N4O2S2/c1-17(2)21(18,19)11-12(14)16-20-13(11)15-9-8-10-6-4-3-5-7-10/h6,15H,3-5,7-9H2,1-2H3,(H2,14,16)
InChIKeyXAVFRWIVUHRZEJ-UHFFFAOYSA-N
XLogP2.28
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide 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

3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103363380
3-amino-5-(2-cyclopentyloxyethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361701
3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide
CID 106044547
3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide
CID 103365285
ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 106174609
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036
3-amino-5-[(3,5-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359748
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 106259011
3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359254
3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359527
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 107855833) is 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCCC1=CCCCC1.
What is the InChIKey of 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is XAVFRWIVUHRZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-17(2)21(18,19)11-12(14)16-20-13(11)15-9-8-10-6-4-3-5-7-10/h6,15H,3-5,7-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 107855833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).