N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine

C11H20N2O2S2 — CID 75386766

IUPACN-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)(C)c1nccs1
InChIInChI=1S/C11H20N2O2S2/c1-4-8-17(14,15)9-6-13-11(2,3)10-12-5-7-16-10/h5,7,13H,4,6,8-9H2,1-3H3
InChIKeyOZQTVSANMOIUHN-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.79
Rot. Bonds7

About N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine

N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 75386766) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID75386766
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)(C)c1nccs1
InChIInChI=1S/C11H20N2O2S2/c1-4-8-17(14,15)9-6-13-11(2,3)10-12-5-7-16-10/h5,7,13H,4,6,8-9H2,1-3H3
InChIKeyOZQTVSANMOIUHN-UHFFFAOYSA-N
XLogP1.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine (CID 75386766) is N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine is CCCS(=O)(=O)CCNC(C)(C)c1nccs1.
What is the InChIKey of N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is OZQTVSANMOIUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-8-17(14,15)9-6-13-11(2,3)10-12-5-7-16-10/h5,7,13H,4,6,8-9H2,1-3H3.
What are the key properties of N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 75386766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).