5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine

C11H20N2O2S2 — CID 65095510

IUPAC5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)Cc1csc(C)n1
InChIInChI=1S/C11H20N2O2S2/c1-3-17(14,15)6-4-5-10(12)7-11-8-16-9(2)13-11/h8,10H,3-7,12H2,1-2H3
InChIKeyPVWZQBAZCVSGGV-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.54
Rot. Bonds7

About 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine

5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (PubChem CID 65095510) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
PubChem CID65095510
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)Cc1csc(C)n1
InChIInChI=1S/C11H20N2O2S2/c1-3-17(14,15)6-4-5-10(12)7-11-8-16-9(2)13-11/h8,10H,3-7,12H2,1-2H3
InChIKeyPVWZQBAZCVSGGV-UHFFFAOYSA-N
XLogP1.54
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
3-ethylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 65093047
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55119893
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-2-amine
CID 79178263
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 65095838
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
CID 130905513
1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 79748691
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine (CID 65095510) is 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is CCS(=O)(=O)CCCC(N)Cc1csc(C)n1.
What is the InChIKey of 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
The InChIKey is PVWZQBAZCVSGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-3-17(14,15)6-4-5-10(12)7-11-8-16-9(2)13-11/h8,10H,3-7,12H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine?
5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine is sourced from PubChem (CID 65095510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).