2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide

C12H26N2O2S — CID 81189589

IUPAC2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)S(=O)CC(C)(C)N
InChIInChI=1S/C12H26N2O2S/c1-9(2)6-7-14-11(15)10(3)17(16)8-12(4,5)13/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyAMWSWTHSLXPRCX-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.02
Rot. Bonds7

About 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide

2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide (PubChem CID 81189589) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide
PubChem CID81189589
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)S(=O)CC(C)(C)N
InChIInChI=1S/C12H26N2O2S/c1-9(2)6-7-14-11(15)10(3)17(16)8-12(4,5)13/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyAMWSWTHSLXPRCX-UHFFFAOYSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide (CID 81189589) is 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)S(=O)CC(C)(C)N.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide?
The InChIKey is AMWSWTHSLXPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9(2)6-7-14-11(15)10(3)17(16)8-12(4,5)13/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide?
2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide has a molecular weight of 262.42 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 81189589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).