2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C12H20N2OS — CID 112723558

IUPAC2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CNC(C)(C)C
InChIInChI=1S/C12H20N2OS/c1-12(2,3)13-7-11(15)14(4)8-10-5-6-16-9-10/h5-6,9,13H,7-8H2,1-4H3
InChIKeyKKGUBEZRXZRJFX-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.09
Rot. Bonds4

About 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 112723558) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID112723558
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CNC(C)(C)C
InChIInChI=1S/C12H20N2OS/c1-12(2,3)13-7-11(15)14(4)8-10-5-6-16-9-10/h5-6,9,13H,7-8H2,1-4H3
InChIKeyKKGUBEZRXZRJFX-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2-(ethylamino)-N,2-dimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 62831220
2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466825
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
2,2-diethyl-4-[methyl(thiophen-3-ylmethyl)amino]-4-oxobutanoic acid
CID 43527995
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 112723558) is 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is KKGUBEZRXZRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,3)13-7-11(15)14(4)8-10-5-6-16-9-10/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 240.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 112723558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).