4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide

C11H24N2O2S — CID 106310917

IUPAC4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)NCCSCCCO
InChIInChI=1S/C11H24N2O2S/c1-11(2,12)5-4-10(15)13-6-9-16-8-3-7-14/h14H,3-9,12H2,1-2H3,(H,13,15)
InChIKeyJEKPYKWLXIIPBU-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.74
Rot. Bonds9

About 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide

4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide (PubChem CID 106310917) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
PubChem CID106310917
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)NCCSCCCO
InChIInChI=1S/C11H24N2O2S/c1-11(2,12)5-4-10(15)13-6-9-16-8-3-7-14/h14H,3-9,12H2,1-2H3,(H,13,15)
InChIKeyJEKPYKWLXIIPBU-UHFFFAOYSA-N
XLogP0.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
4-amino-N-(2-hydroxyethyl)-4-methylpentanamide;oxalic acid
CID 88516953
2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106310997
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
CID 103810364
2-[acetyl(methyl)amino]-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767866
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
CID 106310993
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
CID 103767427
2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide
CID 66128757
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103767593
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide
CID 103801086

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide (CID 106310917) is 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide is CC(C)(N)CCC(=O)NCCSCCCO.
What is the InChIKey of 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide?
The InChIKey is JEKPYKWLXIIPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,12)5-4-10(15)13-6-9-16-8-3-7-14/h14H,3-9,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide?
4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide has a molecular weight of 248.39 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 106310917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).