methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate

C14H23NO2S — CID 79621848

IUPACmethyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)(C)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C14H23NO2S/c1-11(2)15(9-12-7-6-8-18-12)10-14(3,4)13(16)17-5/h6-8,11H,9-10H2,1-5H3
InChIKeyDKXRQSRHRUVDMV-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.16
Rot. Bonds6

About methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate

methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate (PubChem CID 79621848) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate
PubChem CID79621848
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Namemethyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)(C)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C14H23NO2S/c1-11(2)15(9-12-7-6-8-18-12)10-14(3,4)13(16)17-5/h6-8,11H,9-10H2,1-5H3
InChIKeyDKXRQSRHRUVDMV-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
methyl 2,2-dimethyl-3-(2-thiophen-2-ylethylamino)propanoate
CID 79629616
methyl 2,3-dimethyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62488456
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate
CID 104644473
2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate (CID 79621848) is methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate is COC(=O)C(C)(C)CN(Cc1cccs1)C(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate?
The InChIKey is DKXRQSRHRUVDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(2)15(9-12-7-6-8-18-12)10-14(3,4)13(16)17-5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate?
methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate has a molecular weight of 269.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 79621848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).