2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide

C10H21NO2S — CID 43418122

IUPAC2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CSC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-8(6-12)11-9(13)7-14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyWGUHQVZZMDSMBL-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.41
Rot. Bonds5

About 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide

2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 43418122) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID43418122
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CSC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-8(6-12)11-9(13)7-14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyWGUHQVZZMDSMBL-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid
CID 43469570
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731
2-(cyanomethylsulfanyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919822
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
N-[(2R)-1-hydroxybutan-2-yl]but-3-enamide
CID 104868905
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107214897
N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 43427721
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide (CID 43418122) is 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is WGUHQVZZMDSMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-8(6-12)11-9(13)7-14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13).
What are the key properties of 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 219.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 43418122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).