N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide

C9H19NO2S — CID 103767304

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCSCCCO
InChIInChI=1S/C9H19NO2S/c1-8(2)9(12)10-4-7-13-6-3-5-11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyFKNMRTVTGPDCSM-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.87
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide (PubChem CID 103767304) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
PubChem CID103767304
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCSCCCO
InChIInChI=1S/C9H19NO2S/c1-8(2)9(12)10-4-7-13-6-3-5-11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyFKNMRTVTGPDCSM-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
CID 103950544
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanediamide
CID 103950547
2-(carbamoylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103800836
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-3-phenylpropanamide
CID 106310884
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]but-2-enamide
CID 103801044
(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
CID 114171939
2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106310997
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106313007
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
CID 106310993

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide (CID 103767304) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide?
The InChIKey is FKNMRTVTGPDCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)9(12)10-4-7-13-6-3-5-11/h8,11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide has a molecular weight of 205.32 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 103767304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).