2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide

C9H20N2O2S — CID 106310237

IUPAC2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide
SMILESCCC(NCCSCCCO)C(N)=O
InChIInChI=1S/C9H20N2O2S/c1-2-8(9(10)13)11-4-7-14-6-3-5-12/h8,11-12H,2-7H2,1H3,(H2,10,13)
InChIKeyFTOYRRITKINMQQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.04
Rot. Bonds9

About 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide

2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide (PubChem CID 106310237) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide
PubChem CID106310237
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide
SMILESCCC(NCCSCCCO)C(N)=O
InChIInChI=1S/C9H20N2O2S/c1-2-8(9(10)13)11-4-7-14-6-3-5-12/h8,11-12H,2-7H2,1H3,(H2,10,13)
InChIKeyFTOYRRITKINMQQ-UHFFFAOYSA-N
XLogP-0.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.04
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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Related Compounds

2-[2-(3-hydroxypropylsulfanyl)ethylamino]hexanoic acid
CID 106305618
2-(butylamino)butanamide
CID 62901736
2-(2-aminoethylamino)butanamide
CID 62900229
2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide
CID 106305612
3-[2-(2-methylpentan-3-ylamino)ethylsulfanyl]propan-1-ol
CID 115717861
2-[3-(2-hydroxyethoxy)propylamino]butanamide
CID 106309792
2-(carbamoylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103800836
(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
2-[4-(tetradecylamino)butylamino]butanamide
CID 175024981
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
CID 103950544
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanediamide
CID 103950547

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide?
The IUPAC name of 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide (CID 106310237) is 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide.
What is the SMILES notation for 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide?
The canonical SMILES for 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide is CCC(NCCSCCCO)C(N)=O.
What is the InChIKey of 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide?
The InChIKey is FTOYRRITKINMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-8(9(10)13)11-4-7-14-6-3-5-12/h8,11-12H,2-7H2,1H3,(H2,10,13).
What are the key properties of 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide?
2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide has a molecular weight of 220.34 g/mol, XLogP of -0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide is sourced from PubChem (CID 106310237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).