[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine

C15H30N2O2S2 — CID 66383120

IUPAC[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine
SMILESCCS(=O)(=O)C1CSCCN1C1(CN)CCCC(C)CC1
InChIInChI=1S/C15H30N2O2S2/c1-3-21(18,19)14-11-20-10-9-17(14)15(12-16)7-4-5-13(2)6-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyGEFPLQYTCJONRI-UHFFFAOYSA-N
MW334.55 g/mol
LogP2.09
Rot. Bonds4

About [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine

[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine (PubChem CID 66383120) has the molecular formula C15H30N2O2S2 and a molecular weight of 334.55 g/mol. Its IUPAC name is [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine
PubChem CID66383120
Molecular FormulaC15H30N2O2S2
Molecular Weight334.55 g/mol
Exact Mass334.17
IUPAC Name[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine
SMILESCCS(=O)(=O)C1CSCCN1C1(CN)CCCC(C)CC1
InChIInChI=1S/C15H30N2O2S2/c1-3-21(18,19)14-11-20-10-9-17(14)15(12-16)7-4-5-13(2)6-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyGEFPLQYTCJONRI-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine?
The IUPAC name of [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine (CID 66383120) is [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine.
What is the SMILES notation for [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine?
The canonical SMILES for [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine is CCS(=O)(=O)C1CSCCN1C1(CN)CCCC(C)CC1.
What is the InChIKey of [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine?
The InChIKey is GEFPLQYTCJONRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S2/c1-3-21(18,19)14-11-20-10-9-17(14)15(12-16)7-4-5-13(2)6-8-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine?
[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine has a molecular weight of 334.55 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine is sourced from PubChem (CID 66383120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).