N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C17H25NS — CID 63462609

IUPACN-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCC(CNC2CCSc3ccccc32)CC1
InChIInChI=1S/C17H25NS/c1-13-6-8-14(9-7-13)12-18-16-10-11-19-17-5-3-2-4-15(16)17/h2-5,13-14,16,18H,6-12H2,1H3
InChIKeyVFOPKPACVMVUSP-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.64
Rot. Bonds3

About N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 63462609) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID63462609
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCC(CNC2CCSc3ccccc32)CC1
InChIInChI=1S/C17H25NS/c1-13-6-8-14(9-7-13)12-18-16-10-11-19-17-5-3-2-4-15(16)17/h2-5,13-14,16,18H,6-12H2,1H3
InChIKeyVFOPKPACVMVUSP-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63464061
N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63453791
N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54906970
N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103782741
N-(thian-4-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115719938
N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103775877
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 112800989
N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 166197136
N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide
CID 75483868

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 63462609) is N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is CC1CCC(CNC2CCSc3ccccc32)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is VFOPKPACVMVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-13-6-8-14(9-7-13)12-18-16-10-11-19-17-5-3-2-4-15(16)17/h2-5,13-14,16,18H,6-12H2,1H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 275.46 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 63462609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).