2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide

C11H18N2OS — CID 47551834

IUPAC2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide
SMILESCc1ccsc1CN(CC(N)=O)C(C)C
InChIInChI=1S/C11H18N2OS/c1-8(2)13(7-11(12)14)6-10-9(3)4-5-15-10/h4-5,8H,6-7H2,1-3H3,(H2,12,14)
InChIKeyRLKBCUQBUUTDBL-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.75
Rot. Bonds5

About 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide

2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide (PubChem CID 47551834) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide
PubChem CID47551834
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide
SMILESCc1ccsc1CN(CC(N)=O)C(C)C
InChIInChI=1S/C11H18N2OS/c1-8(2)13(7-11(12)14)6-10-9(3)4-5-15-10/h4-5,8H,6-7H2,1-3H3,(H2,12,14)
InChIKeyRLKBCUQBUUTDBL-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide (CID 47551834) is 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide is Cc1ccsc1CN(CC(N)=O)C(C)C.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide?
The InChIKey is RLKBCUQBUUTDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)13(7-11(12)14)6-10-9(3)4-5-15-10/h4-5,8H,6-7H2,1-3H3,(H2,12,14).
What are the key properties of 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide?
2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide 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 2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 47551834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).