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

C17H25ClN2S — CID 43723369

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C17H25ClN2S/c1-11-10-20(3)12(2)8-16(11)19-15-6-7-21-17-5-4-13(18)9-14(15)17/h4-5,9,11-12,15-16,19H,6-8,10H2,1-3H3
InChIKeyZILLEVDCXKFEJK-UHFFFAOYSA-N
MW324.92 g/mol
LogP4.20
Rot. Bonds2

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

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43723369) has the molecular formula C17H25ClN2S and a molecular weight of 324.92 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43723369
Molecular FormulaC17H25ClN2S
Molecular Weight324.92 g/mol
Exact Mass324.14
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C17H25ClN2S/c1-11-10-20(3)12(2)8-16(11)19-15-6-7-21-17-5-4-13(18)9-14(15)17/h4-5,9,11-12,15-16,19H,6-8,10H2,1-3H3
InChIKeyZILLEVDCXKFEJK-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.92
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64751758
6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232535
5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 64654307
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol
CID 103786082
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783441
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidin-3-amine
CID 79730659
6-chloro-N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63464061
[(1R,4S)-4-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]cyclopent-2-en-1-yl]methanol
CID 99821461
(2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 100851391
6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723344

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine (CID 43723369) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is ZILLEVDCXKFEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2S/c1-11-10-20(3)12(2)8-16(11)19-15-6-7-21-17-5-4-13(18)9-14(15)17/h4-5,9,11-12,15-16,19H,6-8,10H2,1-3H3.
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 324.92 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43723369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).