(6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C19H25NOS — CID 67238886

IUPAC(6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCC(Cc1cccs1)N[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C19H25NOS/c1-2-5-15(13-17-7-4-11-22-17)20-16-9-10-18-14(12-16)6-3-8-19(18)21/h3-4,6-8,11,15-16,20-21H,2,5,9-10,12-13H2,1H3/t15?,16-/m0/s1
InChIKeyDMSUUFNQKYXIEK-LYKKTTPLSA-N
MW315.48 g/mol
LogP4.31
Rot. Bonds6

About (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

(6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 67238886) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID67238886
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name(6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCC(Cc1cccs1)N[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C19H25NOS/c1-2-5-15(13-17-7-4-11-22-17)20-16-9-10-18-14(12-16)6-3-8-19(18)21/h3-4,6-8,11,15-16,20-21H,2,5,9-10,12-13H2,1H3/t15?,16-/m0/s1
InChIKeyDMSUUFNQKYXIEK-LYKKTTPLSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 67238886) is (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is CCCC(Cc1cccs1)N[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is DMSUUFNQKYXIEK-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H25NOS/c1-2-5-15(13-17-7-4-11-22-17)20-16-9-10-18-14(12-16)6-3-8-19(18)21/h3-4,6-8,11,15-16,20-21H,2,5,9-10,12-13H2,1H3/t15?,16-/m0/s1.
What are the key properties of (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
(6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 315.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(1-thiophen-2-ylpentan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 67238886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).