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

C10H22N2O2S — CID 106310842

IUPAC2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCSCCCO
InChIInChI=1S/C10H22N2O2S/c1-8(2)9(11)10(14)12-4-7-15-6-3-5-13/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyYHGFFNDCDWZSJA-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.20
Rot. Bonds8

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

2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide (PubChem CID 106310842) 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]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
PubChem CID106310842
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCSCCCO
InChIInChI=1S/C10H22N2O2S/c1-8(2)9(11)10(14)12-4-7-15-6-3-5-13/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyYHGFFNDCDWZSJA-UHFFFAOYSA-N
XLogP0.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.20
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

(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
CID 103950544
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanediamide
CID 103950547
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-3-phenylpropanamide
CID 106310884
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
CID 114171939
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106313007
2-(carbamoylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103800836
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
CID 106310993
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide (CID 106310842) is 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide is CC(C)C(N)C(=O)NCCSCCCO.
What is the InChIKey of 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide?
The InChIKey is YHGFFNDCDWZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)9(11)10(14)12-4-7-15-6-3-5-13/h8-9,13H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide?
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide has a molecular weight of 234.36 g/mol, XLogP of 0.20, 8 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]-3-methylbutanamide is sourced from PubChem (CID 106310842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).