[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone

C14H26N2OS — CID 113310838

IUPAC[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone
SMILESCC1CSCCN1C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C14H26N2OS/c1-12-10-18-9-8-16(12)13(17)14(11-15)6-4-2-3-5-7-14/h12H,2-11,15H2,1H3
InChIKeyZWGZLHBDKZFXNU-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.25
Rot. Bonds2

About [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone

[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone (PubChem CID 113310838) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone
PubChem CID113310838
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone
SMILESCC1CSCCN1C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C14H26N2OS/c1-12-10-18-9-8-16(12)13(17)14(11-15)6-4-2-3-5-7-14/h12H,2-11,15H2,1H3
InChIKeyZWGZLHBDKZFXNU-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone (CID 113310838) is [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone is CC1CSCCN1C(=O)C1(CN)CCCCCC1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone?
The InChIKey is ZWGZLHBDKZFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12-10-18-9-8-16(12)13(17)14(11-15)6-4-2-3-5-7-14/h12H,2-11,15H2,1H3.
What are the key properties of [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone?
[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone has a molecular weight of 270.44 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 113310838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).