N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide

C12H19NO2S2 — CID 103919645

IUPACN-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)NCCCCCCO
InChIInChI=1S/C12H19NO2S2/c14-8-4-2-1-3-7-13-11(15)10-17-12-6-5-9-16-12/h5-6,9,14H,1-4,7-8,10H2,(H,13,15)
InChIKeyKNIPZDBTMBOMBV-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.51
Rot. Bonds9

About N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide

N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 103919645) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID103919645
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)NCCCCCCO
InChIInChI=1S/C12H19NO2S2/c14-8-4-2-1-3-7-13-11(15)10-17-12-6-5-9-16-12/h5-6,9,14H,1-4,7-8,10H2,(H,13,15)
InChIKeyKNIPZDBTMBOMBV-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43427808
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide
CID 43066911
2-[[(2-thiophen-2-ylsulfanylacetyl)amino]methyl]pentanoic acid
CID 65223064
N-(3-thiophen-2-ylsulfanylpropyl)acetamide
CID 58169495
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-hydroxyhexyl)acetamide
CID 103919016
2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 38763023
methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate
CID 103958096
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide (CID 103919645) is N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is KNIPZDBTMBOMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c14-8-4-2-1-3-7-13-11(15)10-17-12-6-5-9-16-12/h5-6,9,14H,1-4,7-8,10H2,(H,13,15).
What are the key properties of N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide?
N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 273.42 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 103919645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).