N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide

C9H19NO2S — CID 65031917

IUPACN-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(CO)CNC(=O)CSC(C)C
InChIInChI=1S/C9H19NO2S/c1-7(2)13-6-9(12)10-4-8(3)5-11/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyKUAPLNSXTZNUEJ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.87
Rot. Bonds6

About N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide

N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 65031917) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
PubChem CID65031917
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(CO)CNC(=O)CSC(C)C
InChIInChI=1S/C9H19NO2S/c1-7(2)13-6-9(12)10-4-8(3)5-11/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyKUAPLNSXTZNUEJ-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
CID 43418189
N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
CID 103771239
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
CID 65036532
2-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65218166
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 65031542
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
2-phenyl-3-[(2-propan-2-ylsulfanylacetyl)amino]propanoic acid
CID 62884181
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide (CID 65031917) is N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide is CC(CO)CNC(=O)CSC(C)C.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is KUAPLNSXTZNUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)13-6-9(12)10-4-8(3)5-11/h7-8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide?
N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 205.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 65031917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).