3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol

C15H23NOS — CID 19028154

IUPAC3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol
SMILESCCCN(C(C)C)C1CSc2cccc(O)c2C1
InChIInChI=1S/C15H23NOS/c1-4-8-16(11(2)3)12-9-13-14(17)6-5-7-15(13)18-10-12/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyVZGGEDMBOLFEFW-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.53
Rot. Bonds4

About 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol

3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol (PubChem CID 19028154) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol.

Molecular Properties

Compound Name3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol
PubChem CID19028154
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol
SMILESCCCN(C(C)C)C1CSc2cccc(O)c2C1
InChIInChI=1S/C15H23NOS/c1-4-8-16(11(2)3)12-9-13-14(17)6-5-7-15(13)18-10-12/h5-7,11-12,17H,4,8-10H2,1-3H3
InChIKeyVZGGEDMBOLFEFW-UHFFFAOYSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-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 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol?
The IUPAC name of 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol (CID 19028154) is 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol.
What is the SMILES notation for 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol?
The canonical SMILES for 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol is CCCN(C(C)C)C1CSc2cccc(O)c2C1.
What is the InChIKey of 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol?
The InChIKey is VZGGEDMBOLFEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-8-16(11(2)3)12-9-13-14(17)6-5-7-15(13)18-10-12/h5-7,11-12,17H,4,8-10H2,1-3H3.
What are the key properties of 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol?
3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol has a molecular weight of 265.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-thiochromen-5-ol is sourced from PubChem (CID 19028154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).