4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine

C11H22N2S — CID 60849283

IUPAC4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CN2CCSCC2)CC1
InChIInChI=1S/C11H22N2S/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h10-11H,1-9,12H2
InChIKeyHKSYXRPOJGDIKZ-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.55
Rot. Bonds2

About 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine

4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine (PubChem CID 60849283) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine
PubChem CID60849283
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CN2CCSCC2)CC1
InChIInChI=1S/C11H22N2S/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h10-11H,1-9,12H2
InChIKeyHKSYXRPOJGDIKZ-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine (CID 60849283) is 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine is NC1CCC(CN2CCSCC2)CC1.
What is the InChIKey of 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is HKSYXRPOJGDIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h10-11H,1-9,12H2.
What are the key properties of 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine?
4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 60849283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).