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

C9H16N2O2S2 — CID 105113294

IUPAC4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
SMILESCc1nc(C(N)CCCS(C)(=O)=O)cs1
InChIInChI=1S/C9H16N2O2S2/c1-7-11-9(6-14-7)8(10)4-3-5-15(2,12)13/h6,8H,3-5,10H2,1-2H3
InChIKeyQKEWSVHTILYCIW-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.28
Rot. Bonds5

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

4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine (PubChem CID 105113294) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
PubChem CID105113294
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
SMILESCc1nc(C(N)CCCS(C)(=O)=O)cs1
InChIInChI=1S/C9H16N2O2S2/c1-7-11-9(6-14-7)8(10)4-3-5-15(2,12)13/h6,8H,3-5,10H2,1-2H3
InChIKeyQKEWSVHTILYCIW-UHFFFAOYSA-N
XLogP1.28
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine
CID 105179634
N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 114984071
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105113497
4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105112960
1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine
CID 113461173
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The IUPAC name of 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine (CID 105113294) is 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine.
What is the SMILES notation for 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The canonical SMILES for 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine is Cc1nc(C(N)CCCS(C)(=O)=O)cs1.
What is the InChIKey of 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The InChIKey is QKEWSVHTILYCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7-11-9(6-14-7)8(10)4-3-5-15(2,12)13/h6,8H,3-5,10H2,1-2H3.
What are the key properties of 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine is sourced from PubChem (CID 105113294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).