(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide

C11H24N2OS — CID 118626867

IUPAC(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide
SMILESCCCCCC(C)(C)NC(=O)[C@@H](N)CS
InChIInChI=1S/C11H24N2OS/c1-4-5-6-7-11(2,3)13-10(14)9(12)8-15/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyABAWYKIFCZXJRX-VIFPVBQESA-N
MW232.39 g/mol
LogP1.72
Rot. Bonds7

About (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide

(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide (PubChem CID 118626867) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide
PubChem CID118626867
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide
SMILESCCCCCC(C)(C)NC(=O)[C@@H](N)CS
InChIInChI=1S/C11H24N2OS/c1-4-5-6-7-11(2,3)13-10(14)9(12)8-15/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyABAWYKIFCZXJRX-VIFPVBQESA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide (CID 118626867) is (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide is CCCCCC(C)(C)NC(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide?
The InChIKey is ABAWYKIFCZXJRX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-5-6-7-11(2,3)13-10(14)9(12)8-15/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide?
(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide has a molecular weight of 232.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 118626867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).