2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide

C8H19N3O2S — CID 106305612

IUPAC2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCSCCCO
InChIInChI=1S/C8H19N3O2S/c9-7(8(10)13)6-11-2-5-14-4-1-3-12/h7,11-12H,1-6,9H2,(H2,10,13)
InChIKeyKNJFZDLKQBXWID-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.50
Rot. Bonds9

About 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide

2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide (PubChem CID 106305612) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide
PubChem CID106305612
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCSCCCO
InChIInChI=1S/C8H19N3O2S/c9-7(8(10)13)6-11-2-5-14-4-1-3-12/h7,11-12H,1-6,9H2,(H2,10,13)
InChIKeyKNJFZDLKQBXWID-UHFFFAOYSA-N
XLogP-1.50
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide
CID 106310237
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanediamide
CID 103950547
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842
2-amino-3-(butylamino)propanamide
CID 103232681
1-[2-(3-hydroxypropylsulfanyl)ethylamino]butan-2-ol
CID 106310213
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
CID 103950544
2-amino-3-(2,3-dihydroxypropylamino)propanamide
CID 103256231
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445
2-amino-3-(4,4,4-trifluorobutylamino)propanamide
CID 103261924
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
CID 106310415
3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
CID 103578586
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide (CID 106305612) is 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide is NC(=O)C(N)CNCCSCCCO.
What is the InChIKey of 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide?
The InChIKey is KNJFZDLKQBXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-7(8(10)13)6-11-2-5-14-4-1-3-12/h7,11-12H,1-6,9H2,(H2,10,13).
What are the key properties of 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide?
2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide has a molecular weight of 221.33 g/mol, XLogP of -1.50, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide is sourced from PubChem (CID 106305612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).