3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide

C12H26N2O2S — CID 146263966

IUPAC3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide
SMILESCCCNC(=O)CCS(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-5-7-13-11(15)6-9-17(16)10-8-14-12(2,3)4/h14H,5-10H2,1-4H3,(H,13,15)
InChIKeyXCKOMSONILWUGK-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.04
Rot. Bonds8

About 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide

3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide (PubChem CID 146263966) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide
PubChem CID146263966
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide
SMILESCCCNC(=O)CCS(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-5-7-13-11(15)6-9-17(16)10-8-14-12(2,3)4/h14H,5-10H2,1-4H3,(H,13,15)
InChIKeyXCKOMSONILWUGK-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide?
The IUPAC name of 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide (CID 146263966) is 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide.
What is the SMILES notation for 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide?
The canonical SMILES for 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide is CCCNC(=O)CCS(=O)CCNC(C)(C)C.
What is the InChIKey of 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide?
The InChIKey is XCKOMSONILWUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-7-13-11(15)6-9-17(16)10-8-14-12(2,3)4/h14H,5-10H2,1-4H3,(H,13,15).
What are the key properties of 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide?
3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide has a molecular weight of 262.42 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tert-butylamino)ethylsulfinyl]-N-propylpropanamide is sourced from PubChem (CID 146263966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).