N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide

C10H21NO2S — CID 66136137

IUPACN-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCC(CCO)SCC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-8(5-6-12)14-7-9(13)11-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyLUMFAWSRONCDPL-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.41
Rot. Bonds5

About N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide

N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide (PubChem CID 66136137) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
PubChem CID66136137
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCC(CCO)SCC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-8(5-6-12)14-7-9(13)11-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyLUMFAWSRONCDPL-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-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 65418587
N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide
CID 66136121
methyl N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]carbamate
CID 66135934
2-(4-hydroxybutan-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 66135892
4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
CID 66138872
4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 66136634
N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]-1-methylpyrrole-2-carboxamide
CID 66135920
2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
CID 66137037
4-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
CID 66139273
methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 66138649
2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
CID 165467276
2-bromo-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
CID 66138378

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide (CID 66136137) is N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide is CC(CCO)SCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The InChIKey is LUMFAWSRONCDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(5-6-12)14-7-9(13)11-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13).
What are the key properties of N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)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 N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 66136137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).