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

C14H29N3S — CID 114173850

IUPACN,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
SMILESCNC1CCN(CCN2CCSCC2)C(C)C1C
InChIInChI=1S/C14H29N3S/c1-12-13(2)17(5-4-14(12)15-3)7-6-16-8-10-18-11-9-16/h12-15H,4-11H2,1-3H3
InChIKeyXJTFTWQLEZCSRS-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.35
Rot. Bonds4

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

N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine (PubChem CID 114173850) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
PubChem CID114173850
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC NameN,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
SMILESCNC1CCN(CCN2CCSCC2)C(C)C1C
InChIInChI=1S/C14H29N3S/c1-12-13(2)17(5-4-14(12)15-3)7-6-16-8-10-18-11-9-16/h12-15H,4-11H2,1-3H3
InChIKeyXJTFTWQLEZCSRS-UHFFFAOYSA-N
XLogP1.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 106325781
N,2,3-trimethyl-1-(5-methylhexyl)piperidin-4-amine
CID 113287541
1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine
CID 79407787
N,2,3-trimethyl-1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 79398307
N,2,3-trimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79406895
1-[2-(furan-2-yl)ethyl]-N,2,3-trimethylpiperidin-4-amine
CID 79398564
N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114173962
N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 106402216
1-[(4-methoxyphenyl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 79397697
1-[(3-methoxyoxolan-3-yl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 104761957
N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 103815455
1-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79406628

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine (CID 114173850) is N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine is CNC1CCN(CCN2CCSCC2)C(C)C1C.
What is the InChIKey of N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is XJTFTWQLEZCSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-12-13(2)17(5-4-14(12)15-3)7-6-16-8-10-18-11-9-16/h12-15H,4-11H2,1-3H3.
What are the key properties of N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine?
N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 271.47 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 114173850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).