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

C11H22N4O2S2 — CID 103359307

IUPAC3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide
SMILESCC(C)CCCNc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H22N4O2S2/c1-8(2)6-5-7-13-11-9(10(12)14-18-11)19(16,17)15(3)4/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyOJHFIGGFUBBJOP-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.82
Rot. Bonds7

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

3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide (PubChem CID 103359307) has the molecular formula C11H22N4O2S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide
PubChem CID103359307
Molecular FormulaC11H22N4O2S2
Molecular Weight306.46 g/mol
Exact Mass306.12
IUPAC Name3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide
SMILESCC(C)CCCNc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H22N4O2S2/c1-8(2)6-5-7-13-11-9(10(12)14-18-11)19(16,17)15(3)4/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyOJHFIGGFUBBJOP-UHFFFAOYSA-N
XLogP1.82
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide
CID 103361145
3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide
CID 103364947
3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide
CID 103364974
4-methylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103383869
3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazole-4-sulfonamide
CID 105942299
3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide
CID 106296486
3-amino-5-(2,2-difluoroethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 113807175
4-cyclopropylsulfonyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103348853
4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893
4-cyclopropylsulfonyl-5-N-(2,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103348921
4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348949
5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103348951

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide (CID 103359307) is 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide is CC(C)CCCNc1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide?
The InChIKey is OJHFIGGFUBBJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S2/c1-8(2)6-5-7-13-11-9(10(12)14-18-11)19(16,17)15(3)4/h8,13H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide has a molecular weight of 306.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(4-methylpentylamino)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103359307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).