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

C7H16N2O2S — CID 154577110

IUPAC2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCC(N)C(=O)NCCCO
InChIInChI=1S/C7H16N2O2S/c1-12-5-6(8)7(11)9-3-2-4-10/h6,10H,2-5,8H2,1H3,(H,9,11)
InChIKeyVTQBVYLYKOVPSO-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.82
Rot. Bonds6

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

2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide (PubChem CID 154577110) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide
PubChem CID154577110
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCC(N)C(=O)NCCCO
InChIInChI=1S/C7H16N2O2S/c1-12-5-6(8)7(11)9-3-2-4-10/h6,10H,2-5,8H2,1H3,(H,9,11)
InChIKeyVTQBVYLYKOVPSO-UHFFFAOYSA-N
XLogP-0.82
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.82
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?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide (CID 154577110) is 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide is CSCC(N)C(=O)NCCCO.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
The InChIKey is VTQBVYLYKOVPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12-5-6(8)7(11)9-3-2-4-10/h6,10H,2-5,8H2,1H3,(H,9,11).
What are the key properties of 2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
2-amino-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide has a molecular weight of 192.28 g/mol, XLogP of -0.82, 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 is sourced from PubChem (CID 154577110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).