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

C11H20N2O2S2 — CID 71986796

IUPACN-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1csc(C(C)(C)NCCCS(C)(=O)=O)n1
InChIInChI=1S/C11H20N2O2S2/c1-9-8-16-10(13-9)11(2,3)12-6-5-7-17(4,14)15/h8,12H,5-7H2,1-4H3
InChIKeyIIIXQQQYKIXHJY-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.71
Rot. Bonds6

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

N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 71986796) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID71986796
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1csc(C(C)(C)NCCCS(C)(=O)=O)n1
InChIInChI=1S/C11H20N2O2S2/c1-9-8-16-10(13-9)11(2,3)12-6-5-7-17(4,14)15/h8,12H,5-7H2,1-4H3
InChIKeyIIIXQQQYKIXHJY-UHFFFAOYSA-N
XLogP1.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 71986796) is N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is Cc1csc(C(C)(C)NCCCS(C)(=O)=O)n1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is IIIXQQQYKIXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-9-8-16-10(13-9)11(2,3)12-6-5-7-17(4,14)15/h8,12H,5-7H2,1-4H3.
What are the key properties of N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 71986796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).