(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine

C11H17NS — CID 142196107

IUPAC(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine
SMILESCC1=CC2=C(CCCC2CN)SC1
InChIInChI=1S/C11H17NS/c1-8-5-10-9(6-12)3-2-4-11(10)13-7-8/h5,9H,2-4,6-7,12H2,1H3
InChIKeyCPWYNISASQYVOS-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.69
Rot. Bonds1

About (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine

(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine (PubChem CID 142196107) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine
PubChem CID142196107
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine
SMILESCC1=CC2=C(CCCC2CN)SC1
InChIInChI=1S/C11H17NS/c1-8-5-10-9(6-12)3-2-4-11(10)13-7-8/h5,9H,2-4,6-7,12H2,1H3
InChIKeyCPWYNISASQYVOS-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7S,13Z)-7-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)sulfanyl-2-ethyl-13-methyl-5,8-dimethylidenehexadeca-13,15-dien-1-amine
CID 89263014
3-[3-(2-Propylpentylsulfinyl)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 90785052
[3-(Cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine
CID 90874481
3-[5-(Cyclohexylmethylsulfanyl)-6-methylcyclohexa-2,4-dien-1-yl]pentan-1-amine
CID 90967794
3-[3-(3-Cyclohexylpropylsulfanyl)cyclohexa-2,4-dien-1-yl]pentan-1-amine
CID 91253982
3-(5-Butylsulfanylcyclohexa-1,5-dien-1-yl)butan-1-amine
CID 91333753
2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine
CID 123786326
(3-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl)methanamine
CID 129016113
[(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine
CID 129016245
3-butyl-4-methylidene-8-[(3E)-2-methylpenta-1,3-dien-3-yl]sulfanylnon-8-en-1-amine
CID 130458750
2-(4-Hexan-3-ylcyclohexa-2,4-dien-1-yl)sulfanylethanamine
CID 134316613
(6-Ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine
CID 134320290

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine?
The IUPAC name of (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine (CID 142196107) is (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine.
What is the SMILES notation for (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine?
The canonical SMILES for (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine is CC1=CC2=C(CCCC2CN)SC1.
What is the InChIKey of (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine?
The InChIKey is CPWYNISASQYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-5-10-9(6-12)3-2-4-11(10)13-7-8/h5,9H,2-4,6-7,12H2,1H3.
What are the key properties of (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine?
(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine has a molecular weight of 195.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine is sourced from PubChem (CID 142196107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).