3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C13H24N4O2S2 — CID 103364216

IUPAC3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCC1CCCCC1
InChIInChI=1S/C13H24N4O2S2/c1-17(2)21(18,19)11-12(14)16-20-13(11)15-9-8-10-6-4-3-5-7-10/h10,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyYIQNIUXECSURCM-UHFFFAOYSA-N
MW332.50 g/mol
LogP2.36
Rot. Bonds6

About 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103364216) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103364216
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCC1CCCCC1
InChIInChI=1S/C13H24N4O2S2/c1-17(2)21(18,19)11-12(14)16-20-13(11)15-9-8-10-6-4-3-5-7-10/h10,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyYIQNIUXECSURCM-UHFFFAOYSA-N
XLogP2.36
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(2-cyclopentyloxyethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361701
3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103363380
3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide
CID 103364947
3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 107855833
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
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365719
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 106259011

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103364216) is 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCCC1CCCCC1.
What is the InChIKey of 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is YIQNIUXECSURCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-17(2)21(18,19)11-12(14)16-20-13(11)15-9-8-10-6-4-3-5-7-10/h10,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 2.36, 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-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103364216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).