2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide

C10H22N2O2S — CID 103950544

IUPAC2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCSCCCO
InChIInChI=1S/C10H22N2O2S/c1-2-4-9(11)10(14)12-5-8-15-7-3-6-13/h9,13H,2-8,11H2,1H3,(H,12,14)
InChIKeyCPOSSJIBLWSFJO-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.35
Rot. Bonds9

About 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide

2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide (PubChem CID 103950544) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
PubChem CID103950544
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCSCCCO
InChIInChI=1S/C10H22N2O2S/c1-2-4-9(11)10(14)12-5-8-15-7-3-6-13/h9,13H,2-8,11H2,1H3,(H,12,14)
InChIKeyCPOSSJIBLWSFJO-UHFFFAOYSA-N
XLogP0.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.35
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-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanediamide
CID 103950547
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
CID 106310993
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-phenylbutanamide
CID 106310901
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842
methyl 2-[2-(2-aminopentanoylamino)ethylsulfanyl]acetate
CID 119320164
(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
(2R)-2-amino-N-butylpentanamide
CID 82668431
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
CID 103950288

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide (CID 103950544) is 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide is CCCC(N)C(=O)NCCSCCCO.
What is the InChIKey of 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide?
The InChIKey is CPOSSJIBLWSFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-4-9(11)10(14)12-5-8-15-7-3-6-13/h9,13H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide?
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide has a molecular weight of 234.36 g/mol, XLogP of 0.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide is sourced from PubChem (CID 103950544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).