(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine

C12H24N2S2 — CID 79958750

IUPAC(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
SMILESCC1(C)CSCC(CN)(N2CCSCC2)C1
InChIInChI=1S/C12H24N2S2/c1-11(2)7-12(8-13,10-16-9-11)14-3-5-15-6-4-14/h3-10,13H2,1-2H3
InChIKeyROLXLZMBBSSQLG-UHFFFAOYSA-N
MW260.47 g/mol
LogP1.90
Rot. Bonds2

About (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine

(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine (PubChem CID 79958750) has the molecular formula C12H24N2S2 and a molecular weight of 260.47 g/mol. Its IUPAC name is (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine.

Molecular Properties

Compound Name(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
PubChem CID79958750
Molecular FormulaC12H24N2S2
Molecular Weight260.47 g/mol
Exact Mass260.14
IUPAC Name(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
SMILESCC1(C)CSCC(CN)(N2CCSCC2)C1
InChIInChI=1S/C12H24N2S2/c1-11(2)7-12(8-13,10-16-9-11)14-3-5-15-6-4-14/h3-10,13H2,1-2H3
InChIKeyROLXLZMBBSSQLG-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine
CID 79958749
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 112682338
[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79958923
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
[5,5-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)thian-3-yl]methanamine
CID 79957955
[5,5-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79957961
[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
CID 79958109
[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62938084
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79953997
[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79958027

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine?
The IUPAC name of (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine (CID 79958750) is (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine.
What is the SMILES notation for (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine?
The canonical SMILES for (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine is CC1(C)CSCC(CN)(N2CCSCC2)C1.
What is the InChIKey of (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine?
The InChIKey is ROLXLZMBBSSQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S2/c1-11(2)7-12(8-13,10-16-9-11)14-3-5-15-6-4-14/h3-10,13H2,1-2H3.
What are the key properties of (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine?
(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine has a molecular weight of 260.47 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine is sourced from PubChem (CID 79958750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).