(1-thiomorpholin-4-ylcycloheptyl)methanamine

C12H24N2S — CID 28787100

IUPAC(1-thiomorpholin-4-ylcycloheptyl)methanamine
SMILESNCC1(N2CCSCC2)CCCCCC1
InChIInChI=1S/C12H24N2S/c13-11-12(5-3-1-2-4-6-12)14-7-9-15-10-8-14/h1-11,13H2
InChIKeyDQNATCOESDAYHH-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.09
Rot. Bonds2

About (1-thiomorpholin-4-ylcycloheptyl)methanamine

(1-thiomorpholin-4-ylcycloheptyl)methanamine (PubChem CID 28787100) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is (1-thiomorpholin-4-ylcycloheptyl)methanamine.

Molecular Properties

Compound Name(1-thiomorpholin-4-ylcycloheptyl)methanamine
PubChem CID28787100
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name(1-thiomorpholin-4-ylcycloheptyl)methanamine
SMILESNCC1(N2CCSCC2)CCCCCC1
InChIInChI=1S/C12H24N2S/c13-11-12(5-3-1-2-4-6-12)14-7-9-15-10-8-14/h1-11,13H2
InChIKeyDQNATCOESDAYHH-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-thiomorpholin-4-ylcycloheptyl)methanamine?
The IUPAC name of (1-thiomorpholin-4-ylcycloheptyl)methanamine (CID 28787100) is (1-thiomorpholin-4-ylcycloheptyl)methanamine.
What is the SMILES notation for (1-thiomorpholin-4-ylcycloheptyl)methanamine?
The canonical SMILES for (1-thiomorpholin-4-ylcycloheptyl)methanamine is NCC1(N2CCSCC2)CCCCCC1.
What is the InChIKey of (1-thiomorpholin-4-ylcycloheptyl)methanamine?
The InChIKey is DQNATCOESDAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c13-11-12(5-3-1-2-4-6-12)14-7-9-15-10-8-14/h1-11,13H2.
What are the key properties of (1-thiomorpholin-4-ylcycloheptyl)methanamine?
(1-thiomorpholin-4-ylcycloheptyl)methanamine has a molecular weight of 228.40 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiomorpholin-4-ylcycloheptyl)methanamine is sourced from PubChem (CID 28787100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).