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

C13H24N4O2S2 — CID 103359636

IUPAC3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NC1CCC(C)(C)CC1
InChIInChI=1S/C13H24N4O2S2/c1-13(2)7-5-9(6-8-13)15-12-10(11(14)16-20-12)21(18,19)17(3)4/h9,15H,5-8H2,1-4H3,(H2,14,16)
InChIKeyFZOAOKTXRXWBNG-UHFFFAOYSA-N
MW332.50 g/mol
LogP2.36
Rot. Bonds4

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

3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103359636) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103359636
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NC1CCC(C)(C)CC1
InChIInChI=1S/C13H24N4O2S2/c1-13(2)7-5-9(6-8-13)15-12-10(11(14)16-20-12)21(18,19)17(3)4/h9,15H,5-8H2,1-4H3,(H2,14,16)
InChIKeyFZOAOKTXRXWBNG-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348905
4-cyclopropylsulfonyl-5-N-(3,5-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348925
4-cyclopropylsulfonyl-5-N-(4-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348963
5-N-(1-cyclohexylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349120
4-cyclopropylsulfonyl-5-N-(2,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349330
4-cyclopropylsulfonyl-5-N-(2-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349528
4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349550
4-cyclopropylsulfonyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349577
4-cyclopropylsulfonyl-5-N-(2,2-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349648
4-cyclopropylsulfonyl-5-N-(3,3-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349694
3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide
CID 103359307
3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359347

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103359636) is 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NC1CCC(C)(C)CC1.
What is the InChIKey of 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is FZOAOKTXRXWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-13(2)7-5-9(6-8-13)15-12-10(11(14)16-20-12)21(18,19)17(3)4/h9,15H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103359636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).