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

C16H23NS2 — CID 103777434

IUPACN-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCSC1CCCCC1NC1CCSc2ccccc21
InChIInChI=1S/C16H23NS2/c1-18-16-9-5-3-7-14(16)17-13-10-11-19-15-8-4-2-6-12(13)15/h2,4,6,8,13-14,16-17H,3,5,7,9-11H2,1H3
InChIKeyKOKXPTNFPWZKID-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.49
Rot. Bonds3

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

N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 103777434) has the molecular formula C16H23NS2 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID103777434
Molecular FormulaC16H23NS2
Molecular Weight293.50 g/mol
Exact Mass293.13
IUPAC NameN-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCSC1CCCCC1NC1CCSc2ccccc21
InChIInChI=1S/C16H23NS2/c1-18-16-9-5-3-7-14(16)17-13-10-11-19-15-8-4-2-6-12(13)15/h2,4,6,8,13-14,16-17H,3,5,7,9-11H2,1H3
InChIKeyKOKXPTNFPWZKID-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
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
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103779434
N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931829
N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62872168
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840392
N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63453791
N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 63476797

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 103777434) is N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine is CSC1CCCCC1NC1CCSc2ccccc21.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is KOKXPTNFPWZKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS2/c1-18-16-9-5-3-7-14(16)17-13-10-11-19-15-8-4-2-6-12(13)15/h2,4,6,8,13-14,16-17H,3,5,7,9-11H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 293.50 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 103777434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).