3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine

C8H14N2O2S2 — CID 83896231

IUPAC3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1nc(S(C)(=O)=O)sc1CCCN
InChIInChI=1S/C8H14N2O2S2/c1-6-7(4-3-5-9)13-8(10-6)14(2,11)12/h3-5,9H2,1-2H3
InChIKeyMDAUTWYMMWJZNO-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.75
Rot. Bonds4

About 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine

3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 83896231) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID83896231
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1nc(S(C)(=O)=O)sc1CCCN
InChIInChI=1S/C8H14N2O2S2/c1-6-7(4-3-5-9)13-8(10-6)14(2,11)12/h3-5,9H2,1-2H3
InChIKeyMDAUTWYMMWJZNO-UHFFFAOYSA-N
XLogP0.75
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine
CID 83896232
3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884746
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 82503870
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 119962087
3-(3-methylpyrazin-2-yl)propan-1-amine
CID 82417256
4-methyl-5-methylsulfonyl-1,3-thiazol-2-amine
CID 91306499
3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106904
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione
CID 115070125
3-(4,5-dimethyl-2-methylsulfonylphenyl)propan-1-amine
CID 117355898
2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154268
ethane-1,2-disulfonate;bis(4-methyl-5-propyl-1,3-thiazol-2-amine)
CID 21127893

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine (CID 83896231) is 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine is Cc1nc(S(C)(=O)=O)sc1CCCN.
What is the InChIKey of 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is MDAUTWYMMWJZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-6-7(4-3-5-9)13-8(10-6)14(2,11)12/h3-5,9H2,1-2H3.
What are the key properties of 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine?
3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 83896231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).