2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride

C7H17ClN2O2S — CID 154577109

IUPAC2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride
SMILESCSCC(N)C(=O)NCCCO.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12-5-6(8)7(11)9-3-2-4-10;/h6,10H,2-5,8H2,1H3,(H,9,11);1H
InChIKeyVLJKKEYISYHMTQ-UHFFFAOYSA-N
MW228.74 g/mol
LogP-0.40
Rot. Bonds6

About 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride

2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride (PubChem CID 154577109) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride
PubChem CID154577109
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC Name2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride
SMILESCSCC(N)C(=O)NCCCO.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12-5-6(8)7(11)9-3-2-4-10;/h6,10H,2-5,8H2,1H3,(H,9,11);1H
InChIKeyVLJKKEYISYHMTQ-UHFFFAOYSA-N
XLogP-0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride (CID 154577109) is 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride is CSCC(N)C(=O)NCCCO.Cl.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride?
The InChIKey is VLJKKEYISYHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-12-5-6(8)7(11)9-3-2-4-10;/h6,10H,2-5,8H2,1H3,(H,9,11);1H.
What are the key properties of 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride?
2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 154577109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).