N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine

C10H18N2O2S2 — CID 75433714

IUPACN-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCS(C)(=O)=O)Cc1nccs1
InChIInChI=1S/C10H18N2O2S2/c1-9(2)12(5-7-16(3,13)14)8-10-11-4-6-15-10/h4,6,9H,5,7-8H2,1-3H3
InChIKeyQLHAHCXAXMFEFL-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.40
Rot. Bonds6

About N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine

N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine (PubChem CID 75433714) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
PubChem CID75433714
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC NameN-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCS(C)(=O)=O)Cc1nccs1
InChIInChI=1S/C10H18N2O2S2/c1-9(2)12(5-7-16(3,13)14)8-10-11-4-6-15-10/h4,6,9H,5,7-8H2,1-3H3
InChIKeyQLHAHCXAXMFEFL-UHFFFAOYSA-N
XLogP1.40
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine (CID 75433714) is N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine is CC(C)N(CCS(C)(=O)=O)Cc1nccs1.
What is the InChIKey of N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The InChIKey is QLHAHCXAXMFEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-9(2)12(5-7-16(3,13)14)8-10-11-4-6-15-10/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 75433714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).