1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine

C13H27N3S — CID 103783176

IUPAC1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
SMILESCC1CC(NCCN2CCSCC2)CCN1C
InChIInChI=1S/C13H27N3S/c1-12-11-13(3-5-15(12)2)14-4-6-16-7-9-17-10-8-16/h12-14H,3-11H2,1-2H3
InChIKeySVQHYTRKVAERHB-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.11
Rot. Bonds4

About 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine

1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine (PubChem CID 103783176) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
PubChem CID103783176
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
SMILESCC1CC(NCCN2CCSCC2)CCN1C
InChIInChI=1S/C13H27N3S/c1-12-11-13(3-5-15(12)2)14-4-6-16-7-9-17-10-8-16/h12-14H,3-11H2,1-2H3
InChIKeySVQHYTRKVAERHB-UHFFFAOYSA-N
XLogP1.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
CID 81332844
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103748347
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 81332995
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
N-(2-thiomorpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609632
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210
2-methyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 62573622

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine (CID 103783176) is 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine is CC1CC(NCCN2CCSCC2)CCN1C.
What is the InChIKey of 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is SVQHYTRKVAERHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-12-11-13(3-5-15(12)2)14-4-6-16-7-9-17-10-8-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 257.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 103783176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).