6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine

C16H22ClNS — CID 43232535

IUPAC6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCC(NC2CCSc3ccc(Cl)cc32)CC1
InChIInChI=1S/C16H22ClNS/c1-11-2-5-13(6-3-11)18-15-8-9-19-16-7-4-12(17)10-14(15)16/h4,7,10-11,13,15,18H,2-3,5-6,8-9H2,1H3
InChIKeyZIEHLSXMDDZYST-UHFFFAOYSA-N
MW295.88 g/mol
LogP5.05
Rot. Bonds2

About 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43232535) has the molecular formula C16H22ClNS and a molecular weight of 295.88 g/mol. Its IUPAC name is 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43232535
Molecular FormulaC16H22ClNS
Molecular Weight295.88 g/mol
Exact Mass295.12
IUPAC Name6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCC(NC2CCSc3ccc(Cl)cc32)CC1
InChIInChI=1S/C16H22ClNS/c1-11-2-5-13(6-3-11)18-15-8-9-19-16-7-4-12(17)10-14(15)16/h4,7,10-11,13,15,18H,2-3,5-6,8-9H2,1H3
InChIKeyZIEHLSXMDDZYST-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.88
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64751758
6-chloro-N-(1,1-dioxothian-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723375
6-chloro-N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63464061
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidin-3-amine
CID 79730659
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 64654307
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine
CID 43723369
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
[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)propane-2-sulfonamide
CID 47371964

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43232535) is 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine is CC1CCC(NC2CCSc3ccc(Cl)cc32)CC1.
What is the InChIKey of 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ZIEHLSXMDDZYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNS/c1-11-2-5-13(6-3-11)18-15-8-9-19-16-7-4-12(17)10-14(15)16/h4,7,10-11,13,15,18H,2-3,5-6,8-9H2,1H3.
What are the key properties of 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 295.88 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43232535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).