1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

C16H23ClN2OS — CID 105170874

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1ccncc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H23ClN2OS/c1-18-15(13-2-6-19-11-14(13)17)12-3-7-20-16(10-12)4-8-21-9-5-16/h2,6,11-12,15,18H,3-5,7-10H2,1H3
InChIKeyGREIVRKTILLYHS-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.69
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 105170874) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
PubChem CID105170874
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1ccncc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H23ClN2OS/c1-18-15(13-2-6-19-11-14(13)17)12-3-7-20-16(10-12)4-8-21-9-5-16/h2,6,11-12,15,18H,3-5,7-10H2,1H3
InChIKeyGREIVRKTILLYHS-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine with MolForge

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105170766
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
1-(2-chlorofuran-3-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106692730
[(3-chloro-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323264
N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254
1-(2,4-dichlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016815
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 106692578
1-(3-ethylthiophen-2-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105017996
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016652
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyrazin-2-yl)methyl]ethanamine
CID 79908127

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (CID 105170874) is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is CNC(c1ccncc1Cl)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is GREIVRKTILLYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-18-15(13-2-6-19-11-14(13)17)12-3-7-20-16(10-12)4-8-21-9-5-16/h2,6,11-12,15,18H,3-5,7-10H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 326.89 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 105170874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).