2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone

C16H26N2OS — CID 115287351

IUPAC2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone
SMILESCC(C)(C)C1CCCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)12-6-4-9-18(10-8-12)15(19)14(17)13-7-5-11-20-13/h5,7,11-12,14H,4,6,8-10,17H2,1-3H3
InChIKeyOQYADEYHHMNTHZ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.42
Rot. Bonds2

About 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone

2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone (PubChem CID 115287351) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone
PubChem CID115287351
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone
SMILESCC(C)(C)C1CCCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)12-6-4-9-18(10-8-12)15(19)14(17)13-7-5-11-20-13/h5,7,11-12,14H,4,6,8-10,17H2,1-3H3
InChIKeyOQYADEYHHMNTHZ-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
CID 115286098
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 113279080
2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115286554
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115285943
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone (CID 115287351) is 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone is CC(C)(C)C1CCCN(C(=O)C(N)c2cccs2)CC1.
What is the InChIKey of 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is OQYADEYHHMNTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,3)12-6-4-9-18(10-8-12)15(19)14(17)13-7-5-11-20-13/h5,7,11-12,14H,4,6,8-10,17H2,1-3H3.
What are the key properties of 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone?
2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 294.46 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 115287351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).