2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine

C15H26N2S2 — CID 80728263

IUPAC2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1CN1CCSCC1
InChIInChI=1S/C15H26N2S2/c1-12-13(11-17-5-7-18-8-6-17)9-14(19-12)10-16-15(2,3)4/h9,16H,5-8,10-11H2,1-4H3
InChIKeyARKKCAPUPFLMSS-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.49
Rot. Bonds4

About 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 80728263) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID80728263
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC Name2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1CN1CCSCC1
InChIInChI=1S/C15H26N2S2/c1-12-13(11-17-5-7-18-8-6-17)9-14(19-12)10-16-15(2,3)4/h9,16H,5-8,10-11H2,1-4H3
InChIKeyARKKCAPUPFLMSS-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62751
Tifacogin
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CID 2739368
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
1-(Thien-2-ylmethyl)piperazine
CID 566208
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
N5,4-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739271
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine (CID 80728263) is 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine is Cc1sc(CNC(C)(C)C)cc1CN1CCSCC1.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is ARKKCAPUPFLMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-12-13(11-17-5-7-18-8-6-17)9-14(19-12)10-16-15(2,3)4/h9,16H,5-8,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 298.52 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80728263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).