N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide

C9H19NO3S — CID 43427721

IUPACN-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCCC(CO)NC(=O)CSCCOC
InChIInChI=1S/C9H19NO3S/c1-3-8(6-11)10-9(12)7-14-5-4-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyWORLTDKQQJMQJP-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.25
Rot. Bonds8

About N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide

N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 43427721) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID43427721
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCCC(CO)NC(=O)CSCCOC
InChIInChI=1S/C9H19NO3S/c1-3-8(6-11)10-9(12)7-14-5-4-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyWORLTDKQQJMQJP-UHFFFAOYSA-N
XLogP0.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 115283379
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046
N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
CID 104981240
2-(cyanomethylsulfanyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919822
(2S)-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 61137493
2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43418122
(2S)-4-methoxy-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-4-oxobutanoic acid
CID 63307466
2-(3-hydroxypropylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
CID 66115880
2-(2-methoxyethylsulfanyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725849
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103920035

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide (CID 43427721) is N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide is CCC(CO)NC(=O)CSCCOC.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is WORLTDKQQJMQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-8(6-11)10-9(12)7-14-5-4-13-2/h8,11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide?
N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 221.32 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 43427721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).