N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine

C15H22N2S — CID 115209215

IUPACN-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine
SMILESc1cc2c(cc1NCC1CCCCN1)CCCS2
InChIInChI=1S/C15H22N2S/c1-2-8-16-14(5-1)11-17-13-6-7-15-12(10-13)4-3-9-18-15/h6-7,10,14,16-17H,1-5,8-9,11H2
InChIKeyNZEJQNQRPQOGCK-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.28
Rot. Bonds3

About N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine

N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine (PubChem CID 115209215) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine
PubChem CID115209215
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine
SMILESc1cc2c(cc1NCC1CCCCN1)CCCS2
InChIInChI=1S/C15H22N2S/c1-2-8-16-14(5-1)11-17-13-6-7-15-12(10-13)4-3-9-18-15/h6-7,10,14,16-17H,1-5,8-9,11H2
InChIKeyNZEJQNQRPQOGCK-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine 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

N'-(3,4-dihydro-2H-thiochromen-6-yl)propane-1,3-diamine
CID 115197135
2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 106632861
methyl 2-(3,4-dihydro-2H-thiochromen-6-ylamino)acetate
CID 115232712
1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol
CID 115121169
N'-(3,4-dihydro-2H-thiochromen-6-yl)-2-methylpropane-1,3-diamine
CID 115198310
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine
CID 115149711
N-(piperidin-2-ylmethyl)-1H-indazol-5-amine
CID 106633290
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
CID 106632832
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
CID 106633430
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
CID 116927974

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine (CID 115209215) is N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine is c1cc2c(cc1NCC1CCCCN1)CCCS2.
What is the InChIKey of N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine?
The InChIKey is NZEJQNQRPQOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-8-16-14(5-1)11-17-13-6-7-15-12(10-13)4-3-9-18-15/h6-7,10,14,16-17H,1-5,8-9,11H2.
What are the key properties of N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine?
N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine has a molecular weight of 262.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine is sourced from PubChem (CID 115209215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).