N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine

C11H20N2O2S2 — CID 105113033

IUPACN-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1csc(C)n1
InChIInChI=1S/C11H20N2O2S2/c1-4-12-10(6-5-7-17(3,14)15)11-8-16-9(2)13-11/h8,10,12H,4-7H2,1-3H3
InChIKeyWTPMMBSNJGNDDS-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.93
Rot. Bonds7

About N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine

N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine (PubChem CID 105113033) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
PubChem CID105113033
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1csc(C)n1
InChIInChI=1S/C11H20N2O2S2/c1-4-12-10(6-5-7-17(3,14)15)11-8-16-9(2)13-11/h8,10,12H,4-7H2,1-3H3
InChIKeyWTPMMBSNJGNDDS-UHFFFAOYSA-N
XLogP1.93
TPSA59.06 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 114984071
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine
CID 63222521
1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
CID 105138128
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120883
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 105112925
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
1-(2-methylpyrimidin-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115530977

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine (CID 105113033) is N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine is CCNC(CCCS(C)(=O)=O)c1csc(C)n1.
What is the InChIKey of N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The InChIKey is WTPMMBSNJGNDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-12-10(6-5-7-17(3,14)15)11-8-16-9(2)13-11/h8,10,12H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine is sourced from PubChem (CID 105113033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).