2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide

C8H18N2O2S — CID 66135959

IUPAC2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide
SMILESCC(CCO)SCC(C)(N)C(N)=O
InChIInChI=1S/C8H18N2O2S/c1-6(3-4-11)13-5-8(2,10)7(9)12/h6,11H,3-5,10H2,1-2H3,(H2,9,12)
InChIKeyNPHCRGPGKQAFKW-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.31
Rot. Bonds6

About 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide

2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide (PubChem CID 66135959) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide
PubChem CID66135959
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide
SMILESCC(CCO)SCC(C)(N)C(N)=O
InChIInChI=1S/C8H18N2O2S/c1-6(3-4-11)13-5-8(2,10)7(9)12/h6,11H,3-5,10H2,1-2H3,(H2,9,12)
InChIKeyNPHCRGPGKQAFKW-UHFFFAOYSA-N
XLogP-0.31
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
CID 66138872
3-(2,2,2-trifluoroethylsulfanyl)butan-1-ol
CID 66137504
1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol
CID 114495244
2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
CID 165467276
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 66139088
methyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 66136846
ethyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanoate
CID 66137754
N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66136137
(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 165347808
2-amino-4,4-dimethoxy-2-methylbutanamide
CID 66180029
2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
CID 66139313

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide (CID 66135959) is 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide is CC(CCO)SCC(C)(N)C(N)=O.
What is the InChIKey of 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide?
The InChIKey is NPHCRGPGKQAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-6(3-4-11)13-5-8(2,10)7(9)12/h6,11H,3-5,10H2,1-2H3,(H2,9,12).
What are the key properties of 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide?
2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide has a molecular weight of 206.31 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide is sourced from PubChem (CID 66135959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).