N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine

C11H18N2O2S2 — CID 71980322

IUPACN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(CNCC2(CS(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H18N2O2S2/c1-9-6-16-10(13-9)5-12-7-11(3-4-11)8-17(2,14)15/h6,12H,3-5,7-8H2,1-2H3
InChIKeyONABWLCBOXBZGV-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.37
Rot. Bonds6

About N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine

N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 71980322) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID71980322
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(CNCC2(CS(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H18N2O2S2/c1-9-6-16-10(13-9)5-12-7-11(3-4-11)8-17(2,14)15/h6,12H,3-5,7-8H2,1-2H3
InChIKeyONABWLCBOXBZGV-UHFFFAOYSA-N
XLogP1.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 71980322) is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine is Cc1csc(CNCC2(CS(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is ONABWLCBOXBZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-6-16-10(13-9)5-12-7-11(3-4-11)8-17(2,14)15/h6,12H,3-5,7-8H2,1-2H3.
What are the key properties of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 71980322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).