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

C11H22N4O2S2 — CID 103362628

IUPAC3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCCCCCN(C)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H22N4O2S2/c1-5-6-7-8-15(4)11-9(10(12)13-18-11)19(16,17)14(2)3/h5-8H2,1-4H3,(H2,12,13)
InChIKeyLUHCJBMTOLHPLO-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.60
Rot. Bonds7

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

3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide (PubChem CID 103362628) has the molecular formula C11H22N4O2S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
PubChem CID103362628
Molecular FormulaC11H22N4O2S2
Molecular Weight306.46 g/mol
Exact Mass306.12
IUPAC Name3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCCCCCN(C)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H22N4O2S2/c1-5-6-7-8-15(4)11-9(10(12)13-18-11)19(16,17)14(2)3/h5-8H2,1-4H3,(H2,12,13)
InChIKeyLUHCJBMTOLHPLO-UHFFFAOYSA-N
XLogP1.60
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide (CID 103362628) is 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide is CCCCCN(C)c1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide?
The InChIKey is LUHCJBMTOLHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S2/c1-5-6-7-8-15(4)11-9(10(12)13-18-11)19(16,17)14(2)3/h5-8H2,1-4H3,(H2,12,13).
What are the key properties of 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide has a molecular weight of 306.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103362628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).