[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine

C12H25N3O2S2 — CID 66384302

IUPAC[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine
SMILESCN1CCC(CN)(N2CCSCC2S(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O2S2/c1-14-5-3-12(10-13,4-6-14)15-7-8-18-9-11(15)19(2,16)17/h11H,3-10,13H2,1-2H3
InChIKeyPBZFDJSLACHXFO-UHFFFAOYSA-N
MW307.49 g/mol
LogP-0.17
Rot. Bonds3

About [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine

[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine (PubChem CID 66384302) has the molecular formula C12H25N3O2S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine
PubChem CID66384302
Molecular FormulaC12H25N3O2S2
Molecular Weight307.49 g/mol
Exact Mass307.14
IUPAC Name[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine
SMILESCN1CCC(CN)(N2CCSCC2S(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O2S2/c1-14-5-3-12(10-13,4-6-14)15-7-8-18-9-11(15)19(2,16)17/h11H,3-10,13H2,1-2H3
InChIKeyPBZFDJSLACHXFO-UHFFFAOYSA-N
XLogP-0.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
CID 106661306
[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine
CID 66384310
[5,5-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79957961
[4,4-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79948822
[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine
CID 66383120
[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine
CID 106663210
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
[1-(aminomethyl)cyclohexyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115437991
[1-(aminomethyl)cycloheptyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115444203
2-[1-(aminomethyl)cyclobutyl]-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 81168313
2-[1-(aminomethyl)cyclohexyl]-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 104678381
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine (CID 66384302) is [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine is CN1CCC(CN)(N2CCSCC2S(C)(=O)=O)CC1.
What is the InChIKey of [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is PBZFDJSLACHXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S2/c1-14-5-3-12(10-13,4-6-14)15-7-8-18-9-11(15)19(2,16)17/h11H,3-10,13H2,1-2H3.
What are the key properties of [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine?
[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 307.49 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 66384302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).