N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide

C8H17NO2S — CID 43417538

IUPACN-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCCCO
InChIInChI=1S/C8H17NO2S/c1-7(2)12-6-8(11)9-4-3-5-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyICYXPGXBJZOTLW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.63
Rot. Bonds6

About N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide

N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 43417538) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
PubChem CID43417538
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCCCO
InChIInChI=1S/C8H17NO2S/c1-7(2)12-6-8(11)9-4-3-5-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyICYXPGXBJZOTLW-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butylsulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857117
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
CID 104857162
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 104857163
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide
CID 104858041
2-tert-butylsulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858283
N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109885944
N-(3-hydroxybutyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886537
N-(3-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109887579
2-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 109928360
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115659689
N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 15123541
3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]propanamide
CID 20261868

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide (CID 43417538) is N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is ICYXPGXBJZOTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)12-6-8(11)9-4-3-5-10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide?
N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 191.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 43417538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).