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

C11H24N2O2S — CID 106310993

IUPAC3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
SMILESCCCC(N)CC(=O)NCCSCCCO
InChIInChI=1S/C11H24N2O2S/c1-2-4-10(12)9-11(15)13-5-8-16-7-3-6-14/h10,14H,2-9,12H2,1H3,(H,13,15)
InChIKeyPRGPERLNYRCVGU-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.74
Rot. Bonds10

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

3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide (PubChem CID 106310993) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
PubChem CID106310993
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
SMILESCCCC(N)CC(=O)NCCSCCCO
InChIInChI=1S/C11H24N2O2S/c1-2-4-10(12)9-11(15)13-5-8-16-7-3-6-14/h10,14H,2-9,12H2,1H3,(H,13,15)
InChIKeyPRGPERLNYRCVGU-UHFFFAOYSA-N
XLogP0.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.74
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]pentanamide
CID 103950544
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanediamide
CID 103950547
2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106310997
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842
(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
CID 106310465
3-amino-N-(4-propan-2-yloxybutyl)hexanamide
CID 106011504
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 106310917
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide?
The IUPAC name of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide (CID 106310993) is 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide.
What is the SMILES notation for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide?
The canonical SMILES for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide is CCCC(N)CC(=O)NCCSCCCO.
What is the InChIKey of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide?
The InChIKey is PRGPERLNYRCVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-2-4-10(12)9-11(15)13-5-8-16-7-3-6-14/h10,14H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide?
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide has a molecular weight of 248.39 g/mol, XLogP of 0.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide is sourced from PubChem (CID 106310993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).