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

C14H28N2O2S2 — CID 66384310

IUPAC[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine
SMILESCC1CCCC(CN)(N2CCSCC2S(C)(=O)=O)CC1
InChIInChI=1S/C14H28N2O2S2/c1-12-4-3-6-14(11-15,7-5-12)16-8-9-19-10-13(16)20(2,17)18/h12-13H,3-11,15H2,1-2H3
InChIKeyAVWSXLBGFRTQCT-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.70
Rot. Bonds3

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

[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine (PubChem CID 66384310) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine
PubChem CID66384310
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC Name[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine
SMILESCC1CCCC(CN)(N2CCSCC2S(C)(=O)=O)CC1
InChIInChI=1S/C14H28N2O2S2/c1-12-4-3-6-14(11-15,7-5-12)16-8-9-19-10-13(16)20(2,17)18/h12-13H,3-11,15H2,1-2H3
InChIKeyAVWSXLBGFRTQCT-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine
CID 66383120
[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
CID 106661306
[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine
CID 66384302
[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
[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine
CID 106663210
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
[1-(aminomethyl)cyclohexyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115437991
[1-(aminomethyl)cycloheptyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115444203
[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine?
The IUPAC name of [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine (CID 66384310) is [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine?
The canonical SMILES for [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine is CC1CCCC(CN)(N2CCSCC2S(C)(=O)=O)CC1.
What is the InChIKey of [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine?
The InChIKey is AVWSXLBGFRTQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-12-4-3-6-14(11-15,7-5-12)16-8-9-19-10-13(16)20(2,17)18/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine?
[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine has a molecular weight of 320.52 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine is sourced from PubChem (CID 66384310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).