N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide

C11H20N2O2S2 — CID 110395145

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1sc(C)nc1C
InChIInChI=1S/C11H20N2O2S2/c1-4-5-8-17(14,15)12-7-6-11-9(2)13-10(3)16-11/h12H,4-8H2,1-3H3
InChIKeyJYYTXPPNOOFTCY-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.02
Rot. Bonds7

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide (PubChem CID 110395145) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide
PubChem CID110395145
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1sc(C)nc1C
InChIInChI=1S/C11H20N2O2S2/c1-4-5-8-17(14,15)12-7-6-11-9(2)13-10(3)16-11/h12H,4-8H2,1-3H3
InChIKeyJYYTXPPNOOFTCY-UHFFFAOYSA-N
XLogP2.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 15670034
2-(4-Methyl-1,3-thiazol-5-yl)ethane-1-sulfonamide
CID 64182312
2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide
CID 45261526
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanesulfonamide
CID 18561552
(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylsulfonylethyl)-N-methylethanamine
CID 96097934
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide
CID 97211671
1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide
CID 138049534
1-(2-Tert-butyl-4-methyl-1,3-thiazol-5-yl)ethane-1-sulfonyl fluoride
CID 165483791
1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethane-1-sulfonyl fluoride
CID 165721038
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azepane-1-sulfonamide
CID 47320515
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 82598268
5-(2-Aminoethyl)-2-[(dimethylamino)methyl]-1,3-thiazole-4-carbothialdehyde
CID 91045683

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide (CID 110395145) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1sc(C)nc1C.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide?
The InChIKey is JYYTXPPNOOFTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-5-8-17(14,15)12-7-6-11-9(2)13-10(3)16-11/h12H,4-8H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110395145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).