2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine

C16H33N3S — CID 106325781

IUPAC2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
SMILESCCCNC1CCN(CCN2CCSCC2)C(C)C1C
InChIInChI=1S/C16H33N3S/c1-4-6-17-16-5-7-19(15(3)14(16)2)9-8-18-10-12-20-13-11-18/h14-17H,4-13H2,1-3H3
InChIKeyAGQZJJQJDRQJHN-UHFFFAOYSA-N
MW299.53 g/mol
LogP2.13
Rot. Bonds6

About 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine

2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine (PubChem CID 106325781) has the molecular formula C16H33N3S and a molecular weight of 299.53 g/mol. Its IUPAC name is 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
PubChem CID106325781
Molecular FormulaC16H33N3S
Molecular Weight299.53 g/mol
Exact Mass299.24
IUPAC Name2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
SMILESCCCNC1CCN(CCN2CCSCC2)C(C)C1C
InChIInChI=1S/C16H33N3S/c1-4-6-17-16-5-7-19(15(3)14(16)2)9-8-18-10-12-20-13-11-18/h14-17H,4-13H2,1-3H3
InChIKeyAGQZJJQJDRQJHN-UHFFFAOYSA-N
XLogP2.13
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 114173850
2,3-dimethyl-N-propyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 79406592
1-(3-methoxypropyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397144
1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79406875
2,3-dimethyl-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 79398266
1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79413433
2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine
CID 106429737
2,3-dimethyl-1-[(1-methylpiperidin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 79407138
2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine
CID 113466578
2,3-dimethyl-N-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 79406175
1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79413586
2-methyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 62573622

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine (CID 106325781) is 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine is CCCNC1CCN(CCN2CCSCC2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is AGQZJJQJDRQJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3S/c1-4-6-17-16-5-7-19(15(3)14(16)2)9-8-18-10-12-20-13-11-18/h14-17H,4-13H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 299.53 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 106325781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).