4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine

C15H23ClN2OS — CID 103388565

IUPAC4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H23ClN2OS/c1-19-10-12(3-2-7-17)18-14-6-8-20-15-5-4-11(16)9-13(14)15/h4-5,9,12,14,18H,2-3,6-8,10,17H2,1H3
InChIKeyOSFGVOGMOKFIHA-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.22
Rot. Bonds7

About 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine

4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine (PubChem CID 103388565) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine
PubChem CID103388565
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H23ClN2OS/c1-19-10-12(3-2-7-17)18-14-6-8-20-15-5-4-11(16)9-13(14)15/h4-5,9,12,14,18H,2-3,6-8,10,17H2,1H3
InChIKeyOSFGVOGMOKFIHA-UHFFFAOYSA-N
XLogP3.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723344
6-chloro-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 113457741
6-chloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43786670
6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 116534400
6-chloro-N-hex-1-yn-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 114160918
6-chloro-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43771391
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
CID 103154733
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-(1-methylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64629732
6-chloro-N-pent-1-yn-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 114160681
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride
CID 120587543
6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide
CID 43709288

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine (CID 103388565) is 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine is COCC(CCCN)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine?
The InChIKey is OSFGVOGMOKFIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-19-10-12(3-2-7-17)18-14-6-8-20-15-5-4-11(16)9-13(14)15/h4-5,9,12,14,18H,2-3,6-8,10,17H2,1H3.
What are the key properties of 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine?
4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine has a molecular weight of 314.88 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103388565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).