(4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine

C12H24N2OS — CID 79948892

IUPAC(4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine
SMILESCC1(C)CCSCC1(CN)N1CCOCC1
InChIInChI=1S/C12H24N2OS/c1-11(2)3-8-16-10-12(11,9-13)14-4-6-15-7-5-14/h3-10,13H2,1-2H3
InChIKeyZWSXTRWOEFAAKY-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.18
Rot. Bonds2

About (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine

(4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine (PubChem CID 79948892) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine
PubChem CID79948892
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine
SMILESCC1(C)CCSCC1(CN)N1CCOCC1
InChIInChI=1S/C12H24N2OS/c1-11(2)3-8-16-10-12(11,9-13)14-4-6-15-7-5-14/h3-10,13H2,1-2H3
InChIKeyZWSXTRWOEFAAKY-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4,4-dimethyl-3-(4-propylpiperazin-1-yl)thian-3-yl]methanamine
CID 79948632
2-[4-[3-(aminomethyl)-4,4-dimethylthian-3-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 79952654
(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride
CID 42948044
(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 79834604
[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,4-dimethylthian-3-yl]methanamine
CID 102725709
[4,4-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79948822
[3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 62986373
[2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79834112
3-morpholin-4-ylthiolane-3-carbonitrile
CID 3459329
[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856298
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271
[3-(2-methylmorpholin-4-yl)thiolan-3-yl]methanamine
CID 24697033

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine?
The IUPAC name of (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine (CID 79948892) is (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine.
What is the SMILES notation for (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine?
The canonical SMILES for (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine is CC1(C)CCSCC1(CN)N1CCOCC1.
What is the InChIKey of (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine?
The InChIKey is ZWSXTRWOEFAAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-11(2)3-8-16-10-12(11,9-13)14-4-6-15-7-5-14/h3-10,13H2,1-2H3.
What are the key properties of (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine?
(4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine has a molecular weight of 244.40 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-morpholin-4-ylthian-3-yl)methanamine is sourced from PubChem (CID 79948892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).