(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine

C13H26N2S — CID 79834604

IUPAC(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC1(C)CCCCC1(CN)N1CCSCC1
InChIInChI=1S/C13H26N2S/c1-12(2)5-3-4-6-13(12,11-14)15-7-9-16-10-8-15/h3-11,14H2,1-2H3
InChIKeyVHIJXVFPSUAIIU-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.33
Rot. Bonds2

About (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine

(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 79834604) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID79834604
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC1(C)CCCCC1(CN)N1CCSCC1
InChIInChI=1S/C13H26N2S/c1-12(2)5-3-4-6-13(12,11-14)15-7-9-16-10-8-15/h3-11,14H2,1-2H3
InChIKeyVHIJXVFPSUAIIU-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856298
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 79847823
[1-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79858011
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylcyclopentyl]methanamine
CID 79857920
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847299
(4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine
CID 79948892
[4,4-dimethyl-3-(4-propylpiperazin-1-yl)thian-3-yl]methanamine
CID 79948632
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464444
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79857357

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine (CID 79834604) is (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine is CC1(C)CCCCC1(CN)N1CCSCC1.
What is the InChIKey of (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is VHIJXVFPSUAIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-12(2)5-3-4-6-13(12,11-14)15-7-9-16-10-8-15/h3-11,14H2,1-2H3.
What are the key properties of (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 242.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 79834604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).