N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide

C8H17NO2S — CID 43418189

IUPACN-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(O)CNC(=O)CSC(C)C
InChIInChI=1S/C8H17NO2S/c1-6(2)12-5-8(11)9-4-7(3)10/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyDCVUVVNJYKDIID-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.62
Rot. Bonds5

About N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide

N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 43418189) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
PubChem CID43418189
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(O)CNC(=O)CSC(C)C
InChIInChI=1S/C8H17NO2S/c1-6(2)12-5-8(11)9-4-7(3)10/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyDCVUVVNJYKDIID-UHFFFAOYSA-N
XLogP0.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
CID 103771239
N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
CID 65031917
2-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65218166
N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide
CID 87966580
2-(cyanomethylsulfanyl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83057845
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
2-phenyl-3-[(2-propan-2-ylsulfanylacetyl)amino]propanoic acid
CID 62884181
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide (CID 43418189) is N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide is CC(O)CNC(=O)CSC(C)C.
What is the InChIKey of N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is DCVUVVNJYKDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)12-5-8(11)9-4-7(3)10/h6-7,10H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 191.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 43418189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).