6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol

C13H23NOS — CID 115906776

IUPAC6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
SMILESCC(Cc1ccsc1)NCCCCCCO
InChIInChI=1S/C13H23NOS/c1-12(10-13-6-9-16-11-13)14-7-4-2-3-5-8-15/h6,9,11-12,14-15H,2-5,7-8,10H2,1H3
InChIKeyVLSWLTYYHHFWOQ-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.82
Rot. Bonds9

About 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol

6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol (PubChem CID 115906776) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
PubChem CID115906776
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
SMILESCC(Cc1ccsc1)NCCCCCCO
InChIInChI=1S/C13H23NOS/c1-12(10-13-6-9-16-11-13)14-7-4-2-3-5-8-15/h6,9,11-12,14-15H,2-5,7-8,10H2,1H3
InChIKeyVLSWLTYYHHFWOQ-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.82
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

N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961663
5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol
CID 111635853
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine
CID 75427876
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
12-thiophen-3-yldodecan-1-ol
CID 67533520

Frequently Asked Questions

What is the IUPAC name of 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol (CID 115906776) is 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol is CC(Cc1ccsc1)NCCCCCCO.
What is the InChIKey of 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol?
The InChIKey is VLSWLTYYHHFWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-12(10-13-6-9-16-11-13)14-7-4-2-3-5-8-15/h6,9,11-12,14-15H,2-5,7-8,10H2,1H3.
What are the key properties of 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol?
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 115906776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).