N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine

C18H25N3S — CID 59314610

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
SMILESCN1CCC(N(C)c2ccnc3sc4c(c23)CCCC4)CC1
InChIInChI=1S/C18H25N3S/c1-20-11-8-13(9-12-20)21(2)15-7-10-19-18-17(15)14-5-3-4-6-16(14)22-18/h7,10,13H,3-6,8-9,11-12H2,1-2H3
InChIKeyAVWVZHOSZHHTIL-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.71
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine

N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine (PubChem CID 59314610) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
PubChem CID59314610
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
SMILESCN1CCC(N(C)c2ccnc3sc4c(c23)CCCC4)CC1
InChIInChI=1S/C18H25N3S/c1-20-11-8-13(9-12-20)21(2)15-7-10-19-18-17(15)14-5-3-4-6-16(14)22-18/h7,10,13H,3-6,8-9,11-12H2,1-2H3
InChIKeyAVWVZHOSZHHTIL-UHFFFAOYSA-N
XLogP3.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

3-(4-methylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
CID 1277330
(3R)-1-methyl-3-[methyl(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95632440
N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 2378169
4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;oxalic acid
CID 2829832
N,N-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 4112641
N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 95144552
N,N-dimethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 806289
2-[cyclohexyl(methyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
CID 10663370
4-(4-methylpiperazine-1,4-diium-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine dichloride
CID 18529215
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 86902703
4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 133315625
N-methyl-N-[[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butan-1-amine
CID 52680157

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine (CID 59314610) is N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine is CN1CCC(N(C)c2ccnc3sc4c(c23)CCCC4)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The InChIKey is AVWVZHOSZHHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-20-11-8-13(9-12-20)21(2)15-7-10-19-18-17(15)14-5-3-4-6-16(14)22-18/h7,10,13H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine has a molecular weight of 315.49 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 59314610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).