(2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide

C11H23N3OS — CID 123359335

IUPAC(2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide
SMILESC=CCSC[C@H](N)C(=O)NCCCCCN
InChIInChI=1S/C11H23N3OS/c1-2-8-16-9-10(13)11(15)14-7-5-3-4-6-12/h2,10H,1,3-9,12-13H2,(H,14,15)/t10-/m0/s1
InChIKeyGARZDSKKDNOPEE-JTQLQIEISA-N
MW245.39 g/mol
LogP0.48
Rot. Bonds10

About (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide

(2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide (PubChem CID 123359335) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide
PubChem CID123359335
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name(2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide
SMILESC=CCSC[C@H](N)C(=O)NCCCCCN
InChIInChI=1S/C11H23N3OS/c1-2-8-16-9-10(13)11(15)14-7-5-3-4-6-12/h2,10H,1,3-9,12-13H2,(H,14,15)/t10-/m0/s1
InChIKeyGARZDSKKDNOPEE-JTQLQIEISA-N
XLogP0.48
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide (CID 123359335) is (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide is C=CCSC[C@H](N)C(=O)NCCCCCN.
What is the InChIKey of (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide?
The InChIKey is GARZDSKKDNOPEE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3OS/c1-2-8-16-9-10(13)11(15)14-7-5-3-4-6-12/h2,10H,1,3-9,12-13H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide?
(2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide has a molecular weight of 245.39 g/mol, XLogP of 0.48, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-aminopentyl)-3-prop-2-enylsulfanylpropanamide is sourced from PubChem (CID 123359335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).