4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

C11H18N2OS — CID 60939275

IUPAC4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccsc1CN(C)C(=O)CCCN
InChIInChI=1S/C11H18N2OS/c1-9-5-7-15-10(9)8-13(2)11(14)4-3-6-12/h5,7H,3-4,6,8,12H2,1-2H3
InChIKeyMCRCSLRBPYMBEU-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.75
Rot. Bonds5

About 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (PubChem CID 60939275) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
PubChem CID60939275
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccsc1CN(C)C(=O)CCCN
InChIInChI=1S/C11H18N2OS/c1-9-5-7-15-10(9)8-13(2)11(14)4-3-6-12/h5,7H,3-4,6,8,12H2,1-2H3
InChIKeyMCRCSLRBPYMBEU-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51181607

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (CID 60939275) is 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is Cc1ccsc1CN(C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is MCRCSLRBPYMBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-5-7-15-10(9)8-13(2)11(14)4-3-6-12/h5,7H,3-4,6,8,12H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 60939275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).