3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide

C13H22N2OS — CID 115155110

IUPAC3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccsc1CCN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C13H22N2OS/c1-10-6-8-17-11(10)5-7-15(4)12(16)9-13(2,3)14/h6,8H,5,7,9,14H2,1-4H3
InChIKeyZYISCKYPQZHEMP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.18
Rot. Bonds5

About 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide

3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 115155110) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
PubChem CID115155110
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccsc1CCN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C13H22N2OS/c1-10-6-8-17-11(10)5-7-15(4)12(16)9-13(2,3)14/h6,8H,5,7,9,14H2,1-4H3
InChIKeyZYISCKYPQZHEMP-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide
CID 115177003
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 115159325
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
N'-methyl-N'-[2-(3-methylthiophen-2-yl)ethyl]butane-1,4-diamine
CID 115201578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide (CID 115155110) is 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide is Cc1ccsc1CCN(C)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is ZYISCKYPQZHEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-6-8-17-11(10)5-7-15(4)12(16)9-13(2,3)14/h6,8H,5,7,9,14H2,1-4H3.
What are the key properties of 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide?
3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 115155110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).