N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine

C13H28N2S — CID 106444879

IUPACN,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)C)C1CSCCN1C
InChIInChI=1S/C13H28N2S/c1-13(2,3)7-6-11(14-4)12-10-16-9-8-15(12)5/h11-12,14H,6-10H2,1-5H3
InChIKeyGGMJADNDVXCIOU-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds4

About N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine

N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine (PubChem CID 106444879) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
PubChem CID106444879
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)C)C1CSCCN1C
InChIInChI=1S/C13H28N2S/c1-13(2,3)7-6-11(14-4)12-10-16-9-8-15(12)5/h11-12,14H,6-10H2,1-5H3
InChIKeyGGMJADNDVXCIOU-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433
2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444806
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444825
1-(4-methylthiomorpholin-3-yl)nonylhydrazine
CID 106446283
1-(4-methylthiomorpholin-3-yl)but-3-ynylhydrazine
CID 106446396
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444833
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444804
[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]hydrazine
CID 106446561
[3-methyl-1-(4-methylthiomorpholin-3-yl)pentyl]hydrazine
CID 106446448
[4-methylsulfonyl-1-(4-methylthiomorpholin-3-yl)butyl]hydrazine
CID 106446242

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine?
The IUPAC name of N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine (CID 106444879) is N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine?
The canonical SMILES for N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine is CNC(CCC(C)(C)C)C1CSCCN1C.
What is the InChIKey of N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine?
The InChIKey is GGMJADNDVXCIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-13(2,3)7-6-11(14-4)12-10-16-9-8-15(12)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine?
N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine is sourced from PubChem (CID 106444879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).