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

C13H24N4O2S2 — CID 103362310

IUPAC3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCC1CCC(Nc2snc(N)c2S(=O)(=O)N(C)C)C(C)C1
InChIInChI=1S/C13H24N4O2S2/c1-8-5-6-10(9(2)7-8)15-13-11(12(14)16-20-13)21(18,19)17(3)4/h8-10,15H,5-7H2,1-4H3,(H2,14,16)
InChIKeyPAOISCBYMBARAH-UHFFFAOYSA-N
MW332.50 g/mol
LogP2.21
Rot. Bonds4

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

3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103362310) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103362310
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCC1CCC(Nc2snc(N)c2S(=O)(=O)N(C)C)C(C)C1
InChIInChI=1S/C13H24N4O2S2/c1-8-5-6-10(9(2)7-8)15-13-11(12(14)16-20-13)21(18,19)17(3)4/h8-10,15H,5-7H2,1-4H3,(H2,14,16)
InChIKeyPAOISCBYMBARAH-UHFFFAOYSA-N
XLogP2.21
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103362310) is 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CC1CCC(Nc2snc(N)c2S(=O)(=O)N(C)C)C(C)C1.
What is the InChIKey of 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is PAOISCBYMBARAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-8-5-6-10(9(2)7-8)15-13-11(12(14)16-20-13)21(18,19)17(3)4/h8-10,15H,5-7H2,1-4H3,(H2,14,16).
What are the key properties of 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103362310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).