(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

C16H27N3O2S — CID 100842764

IUPAC(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1nc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)cs1
InChIInChI=1S/C16H27N3O2S/c1-10(2)15(19-7-11(3)21-12(4)8-19)16(20)17-6-14-9-22-13(5)18-14/h9-12,15H,6-8H2,1-5H3,(H,17,20)/t11-,12-,15-/m0/s1
InChIKeySPYRODYYCVZLPY-HUBLWGQQSA-N
MW325.48 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 100842764) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID100842764
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1nc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)cs1
InChIInChI=1S/C16H27N3O2S/c1-10(2)15(19-7-11(3)21-12(4)8-19)16(20)17-6-14-9-22-13(5)18-14/h9-12,15H,6-8H2,1-5H3,(H,17,20)/t11-,12-,15-/m0/s1
InChIKeySPYRODYYCVZLPY-HUBLWGQQSA-N
XLogP2.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 98750563
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94029075
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 52521080
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 94800842
2-(aminomethyl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 65228946
(E)-N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 100899597
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide
CID 52514832
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 55921434
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 129448698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (CID 100842764) is (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is Cc1nc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)cs1.
What is the InChIKey of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is SPYRODYYCVZLPY-HUBLWGQQSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-10(2)15(19-7-11(3)21-12(4)8-19)16(20)17-6-14-9-22-13(5)18-14/h9-12,15H,6-8H2,1-5H3,(H,17,20)/t11-,12-,15-/m0/s1.
What are the key properties of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 325.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 100842764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).