(2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide

C14H22N2OS — CID 62844565

IUPAC(2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCCc2sccc21
InChIInChI=1S/C14H22N2OS/c1-14(2,3)12(15)13(17)16-10-5-4-6-11-9(10)7-8-18-11/h7-8,10,12H,4-6,15H2,1-3H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyUFXIGFBEYQJHAX-TVKKRMFBSA-N
MW266.41 g/mol
LogP2.62
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide (PubChem CID 62844565) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide
PubChem CID62844565
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCCc2sccc21
InChIInChI=1S/C14H22N2OS/c1-14(2,3)12(15)13(17)16-10-5-4-6-11-9(10)7-8-18-11/h7-8,10,12H,4-6,15H2,1-3H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyUFXIGFBEYQJHAX-TVKKRMFBSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide with MolForge

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Related Compounds

2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 103515455
2-amino-3,3,3-trifluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 79812112
2,2,2-trichloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 13037002
propan-2-yl N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)carbamate
CID 116655659
N-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]but-2-ynamide
CID 125142184
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
CID 62840901
2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 80547768
3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)butanoic acid
CID 62842841
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
4-oxo-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butanoic acid
CID 62841859
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 103928686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide (CID 62844565) is (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide is CC(C)(C)[C@H](N)C(=O)NC1CCCc2sccc21.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide?
The InChIKey is UFXIGFBEYQJHAX-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)12(15)13(17)16-10-5-4-6-11-9(10)7-8-18-11/h7-8,10,12H,4-6,15H2,1-3H3,(H,16,17)/t10?,12-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide has a molecular weight of 266.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide is sourced from PubChem (CID 62844565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).