5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide

C13H22N2OS — CID 62933145

IUPAC5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide
SMILESCc1cc(C(N)CC(C)(C)CC(N)=O)c(C)s1
InChIInChI=1S/C13H22N2OS/c1-8-5-10(9(2)17-8)11(14)6-13(3,4)7-12(15)16/h5,11H,6-7,14H2,1-4H3,(H2,15,16)
InChIKeySZDIZQIVLXEQQX-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.66
Rot. Bonds5

About 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide

5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide (PubChem CID 62933145) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide
PubChem CID62933145
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide
SMILESCc1cc(C(N)CC(C)(C)CC(N)=O)c(C)s1
InChIInChI=1S/C13H22N2OS/c1-8-5-10(9(2)17-8)11(14)6-13(3,4)7-12(15)16/h5,11H,6-7,14H2,1-4H3,(H2,15,16)
InChIKeySZDIZQIVLXEQQX-UHFFFAOYSA-N
XLogP2.66
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide?
The IUPAC name of 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide (CID 62933145) is 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide.
What is the SMILES notation for 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide?
The canonical SMILES for 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide is Cc1cc(C(N)CC(C)(C)CC(N)=O)c(C)s1.
What is the InChIKey of 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide?
The InChIKey is SZDIZQIVLXEQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-8-5-10(9(2)17-8)11(14)6-13(3,4)7-12(15)16/h5,11H,6-7,14H2,1-4H3,(H2,15,16).
What are the key properties of 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide?
5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide has a molecular weight of 254.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide is sourced from PubChem (CID 62933145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).