3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide

C13H26N4O2S2 — CID 103359978

IUPAC3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide
SMILESCC(C)CCCC(C)Nc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C13H26N4O2S2/c1-9(2)7-6-8-10(3)15-13-11(12(14)16-20-13)21(18,19)17(4)5/h9-10,15H,6-8H2,1-5H3,(H2,14,16)
InChIKeyYYKWWJGRVFXMGQ-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.60
Rot. Bonds8

About 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide (PubChem CID 103359978) has the molecular formula C13H26N4O2S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide
PubChem CID103359978
Molecular FormulaC13H26N4O2S2
Molecular Weight334.51 g/mol
Exact Mass334.15
IUPAC Name3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide
SMILESCC(C)CCCC(C)Nc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C13H26N4O2S2/c1-9(2)7-6-8-10(3)15-13-11(12(14)16-20-13)21(18,19)17(4)5/h9-10,15H,6-8H2,1-5H3,(H2,14,16)
InChIKeyYYKWWJGRVFXMGQ-UHFFFAOYSA-N
XLogP2.60
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide (CID 103359978) is 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide is CC(C)CCCC(C)Nc1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide?
The InChIKey is YYKWWJGRVFXMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S2/c1-9(2)7-6-8-10(3)15-13-11(12(14)16-20-13)21(18,19)17(4)5/h9-10,15H,6-8H2,1-5H3,(H2,14,16).
What are the key properties of 3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.60, 8 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-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103359978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).