cycloheptyl(thiolan-2-yl)methanamine

C12H23NS — CID 82932614

IUPACcycloheptyl(thiolan-2-yl)methanamine
SMILESNC(C1CCCCCC1)C1CCCS1
InChIInChI=1S/C12H23NS/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h10-12H,1-9,13H2
InChIKeyOKZHHFWJXNWTMG-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.18
Rot. Bonds2

About cycloheptyl(thiolan-2-yl)methanamine

cycloheptyl(thiolan-2-yl)methanamine (PubChem CID 82932614) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is cycloheptyl(thiolan-2-yl)methanamine.

Molecular Properties

Compound Namecycloheptyl(thiolan-2-yl)methanamine
PubChem CID82932614
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Namecycloheptyl(thiolan-2-yl)methanamine
SMILESNC(C1CCCCCC1)C1CCCS1
InChIInChI=1S/C12H23NS/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h10-12H,1-9,13H2
InChIKeyOKZHHFWJXNWTMG-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl(thiolan-2-yl)methanamine?
The IUPAC name of cycloheptyl(thiolan-2-yl)methanamine (CID 82932614) is cycloheptyl(thiolan-2-yl)methanamine.
What is the SMILES notation for cycloheptyl(thiolan-2-yl)methanamine?
The canonical SMILES for cycloheptyl(thiolan-2-yl)methanamine is NC(C1CCCCCC1)C1CCCS1.
What is the InChIKey of cycloheptyl(thiolan-2-yl)methanamine?
The InChIKey is OKZHHFWJXNWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h10-12H,1-9,13H2.
What are the key properties of cycloheptyl(thiolan-2-yl)methanamine?
cycloheptyl(thiolan-2-yl)methanamine has a molecular weight of 213.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(thiolan-2-yl)methanamine is sourced from PubChem (CID 82932614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).