(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol

C15H26N2O2S2 — CID 99787684

IUPAC(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol
SMILESCSC[C@H](O)CN(C)C[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C15H26N2O2S2/c1-16(10-13(18)12-20-2)11-14(15-4-3-9-21-15)17-5-7-19-8-6-17/h3-4,9,13-14,18H,5-8,10-12H2,1-2H3/t13-,14+/m1/s1
InChIKeySFEVBJASJXHLKC-KGLIPLIRSA-N
MW330.52 g/mol
LogP1.78
Rot. Bonds8

About (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol

(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol (PubChem CID 99787684) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol
PubChem CID99787684
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol
SMILESCSC[C@H](O)CN(C)C[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C15H26N2O2S2/c1-16(10-13(18)12-20-2)11-14(15-4-3-9-21-15)17-5-7-19-8-6-17/h3-4,9,13-14,18H,5-8,10-12H2,1-2H3/t13-,14+/m1/s1
InChIKeySFEVBJASJXHLKC-KGLIPLIRSA-N
XLogP1.78
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 97085403
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 95767529
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine
CID 75422289
N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine
CID 97318047
2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
N-[2-[methyl-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]ethyl]methanesulfonamide
CID 96998377
1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride
CID 120752871
1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880763
N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 119880751
2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119880788
3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880755

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol (CID 99787684) is (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol is CSC[C@H](O)CN(C)C[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol?
The InChIKey is SFEVBJASJXHLKC-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-16(10-13(18)12-20-2)11-14(15-4-3-9-21-15)17-5-7-19-8-6-17/h3-4,9,13-14,18H,5-8,10-12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol?
(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol has a molecular weight of 330.52 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 99787684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).