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

C9H16N2O2S2 — CID 114984071

IUPACN-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1csc(C)n1
InChIInChI=1S/C9H16N2O2S2/c1-7-11-9(6-14-7)8(10-2)4-5-15(3,12)13/h6,8,10H,4-5H2,1-3H3
InChIKeyOTEUJBVCBHQVDH-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.15
Rot. Bonds5

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

N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 114984071) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
PubChem CID114984071
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1csc(C)n1
InChIInChI=1S/C9H16N2O2S2/c1-7-11-9(6-14-7)8(10-2)4-5-15(3,12)13/h6,8,10H,4-5H2,1-3H3
InChIKeyOTEUJBVCBHQVDH-UHFFFAOYSA-N
XLogP1.15
TPSA59.06 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
CID 105084395
2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105151834
2-cyclohexyl-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105135487
1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848103
1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848297
N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 113329542
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105157013
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106867910
[4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine
CID 105313908

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (CID 114984071) is N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is CNC(CCS(C)(=O)=O)c1csc(C)n1.
What is the InChIKey of N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is OTEUJBVCBHQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7-11-9(6-14-7)8(10-2)4-5-15(3,12)13/h6,8,10H,4-5H2,1-3H3.
What are the key properties of N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 114984071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).