N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine

C15H21NS2 — CID 103786604

IUPACN-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCSC1CCCC1NC1CCSc2ccccc21
InChIInChI=1S/C15H21NS2/c1-17-15-8-4-6-13(15)16-12-9-10-18-14-7-3-2-5-11(12)14/h2-3,5,7,12-13,15-16H,4,6,8-10H2,1H3
InChIKeyXMXMFLUXZUFVFB-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.10
Rot. Bonds3

About N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 103786604) has the molecular formula C15H21NS2 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID103786604
Molecular FormulaC15H21NS2
Molecular Weight279.47 g/mol
Exact Mass279.11
IUPAC NameN-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCSC1CCCC1NC1CCSc2ccccc21
InChIInChI=1S/C15H21NS2/c1-17-15-8-4-6-13(15)16-12-9-10-18-14-7-3-2-5-11(12)14/h2-3,5,7,12-13,15-16H,4,6,8-10H2,1H3
InChIKeyXMXMFLUXZUFVFB-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-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-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103777434
N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
CID 113262116
3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 114121231
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103779434
N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62872168
N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931829
5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 113262270
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840392
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363
(R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide
CID 157035340

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 103786604) is N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine is CSC1CCCC1NC1CCSc2ccccc21.
What is the InChIKey of N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is XMXMFLUXZUFVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS2/c1-17-15-8-4-6-13(15)16-12-9-10-18-14-7-3-2-5-11(12)14/h2-3,5,7,12-13,15-16H,4,6,8-10H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 279.47 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 103786604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).