3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide

C13H21ClN2OS — CID 114140578

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-12(2,13(3,4)15)11(17)16-8-7-9-5-6-10(14)18-9/h5-6H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyOPTNPKQQRJYZJK-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.82
Rot. Bonds5

About 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide (PubChem CID 114140578) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
PubChem CID114140578
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-12(2,13(3,4)15)11(17)16-8-7-9-5-6-10(14)18-9/h5-6H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyOPTNPKQQRJYZJK-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbutanamide
CID 106035479
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106047856
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504992
tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]carbamate
CID 107094658
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide (CID 114140578) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide?
The InChIKey is OPTNPKQQRJYZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-12(2,13(3,4)15)11(17)16-8-7-9-5-6-10(14)18-9/h5-6H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide has a molecular weight of 288.84 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 114140578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).