2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid

C11H20N2O2S — CID 91568400

IUPAC2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
SMILESO=C(S)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C11H20N2O2S/c14-11(16)13-4-2-1-3-10(13)9-12-5-7-15-8-6-12/h10H,1-9H2,(H,14,16)
InChIKeySPWCIAOPZAUIEG-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.22
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid

2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid (PubChem CID 91568400) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
PubChem CID91568400
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
SMILESO=C(S)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C11H20N2O2S/c14-11(16)13-4-2-1-3-10(13)9-12-5-7-15-8-6-12/h10H,1-9H2,(H,14,16)
InChIKeySPWCIAOPZAUIEG-UHFFFAOYSA-N
XLogP1.22
TPSA32.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 95621430
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503674
3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119875389
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 99974262
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119860023
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 119860015

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid (CID 91568400) is 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid is O=C(S)N1CCCCC1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid?
The InChIKey is SPWCIAOPZAUIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-11(16)13-4-2-1-3-10(13)9-12-5-7-15-8-6-12/h10H,1-9H2,(H,14,16).
What are the key properties of 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid?
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid has a molecular weight of 244.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid is sourced from PubChem (CID 91568400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).