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

C12H24N4O3S2 — CID 106259011

IUPAC3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCC(CC)(CO)CNc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C12H24N4O3S2/c1-5-12(6-2,8-17)7-14-11-9(10(13)15-20-11)21(18,19)16(3)4/h14,17H,5-8H2,1-4H3,(H2,13,15)
InChIKeyDBUMWBPKACIDDW-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.19
Rot. Bonds8

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

3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 106259011) has the molecular formula C12H24N4O3S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID106259011
Molecular FormulaC12H24N4O3S2
Molecular Weight336.48 g/mol
Exact Mass336.13
IUPAC Name3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCC(CC)(CO)CNc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C12H24N4O3S2/c1-5-12(6-2,8-17)7-14-11-9(10(13)15-20-11)21(18,19)16(3)4/h14,17H,5-8H2,1-4H3,(H2,13,15)
InChIKeyDBUMWBPKACIDDW-UHFFFAOYSA-N
XLogP1.19
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 106259011) is 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CCC(CC)(CO)CNc1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is DBUMWBPKACIDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S2/c1-5-12(6-2,8-17)7-14-11-9(10(13)15-20-11)21(18,19)16(3)4/h14,17H,5-8H2,1-4H3,(H2,13,15).
What are the key properties of 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 106259011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).