N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride

C14H29ClN2OS — CID 120858112

IUPACN-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride
SMILESCOCCN(CC1CCCNC1)C1CCCSC1.Cl
InChIInChI=1S/C14H28N2OS.ClH/c1-17-8-7-16(14-5-3-9-18-12-14)11-13-4-2-6-15-10-13;/h13-15H,2-12H2,1H3;1H
InChIKeyMEEIJQUITIOXJB-UHFFFAOYSA-N
MW308.92 g/mol
LogP2.25
Rot. Bonds6

About N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride

N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride (PubChem CID 120858112) has the molecular formula C14H29ClN2OS and a molecular weight of 308.92 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride
PubChem CID120858112
Molecular FormulaC14H29ClN2OS
Molecular Weight308.92 g/mol
Exact Mass308.17
IUPAC NameN-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride
SMILESCOCCN(CC1CCCNC1)C1CCCSC1.Cl
InChIInChI=1S/C14H28N2OS.ClH/c1-17-8-7-16(14-5-3-9-18-12-14)11-13-4-2-6-15-10-13;/h13-15H,2-12H2,1H3;1H
InChIKeyMEEIJQUITIOXJB-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.92
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(thian-3-yl)amino]acetic acid
CID 65067453
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
N-(piperidin-3-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropanamine
CID 106640104
N-(2-methoxyethyl)-N-methyl-2-piperidin-3-ylacetamide
CID 62690898
2-(2-methoxyethoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636684
3-[2-methoxyethyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554321
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine
CID 106623912
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
3-[[[2-methoxyethyl(methyl)sulfamoyl]amino]methyl]piperidine;hydrochloride
CID 119968655

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride (CID 120858112) is N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride is COCCN(CC1CCCNC1)C1CCCSC1.Cl.
What is the InChIKey of N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride?
The InChIKey is MEEIJQUITIOXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS.ClH/c1-17-8-7-16(14-5-3-9-18-12-14)11-13-4-2-6-15-10-13;/h13-15H,2-12H2,1H3;1H.
What are the key properties of N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride?
N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride has a molecular weight of 308.92 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride is sourced from PubChem (CID 120858112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).