N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide

C11H16N2OS — CID 66384880

IUPACN-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC1CC1
InChIInChI=1S/C11H16N2OS/c1-8(14)13-10-4-5-15-11(10)7-12-6-9-2-3-9/h4-5,9,12H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyZXGHGVKCQHDKQW-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.21
Rot. Bonds5

About N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66384880) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66384880
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC1CC1
InChIInChI=1S/C11H16N2OS/c1-8(14)13-10-4-5-15-11(10)7-12-6-9-2-3-9/h4-5,9,12H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyZXGHGVKCQHDKQW-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide (CID 66384880) is N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCC1CC1.
What is the InChIKey of N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is ZXGHGVKCQHDKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(14)13-10-4-5-15-11(10)7-12-6-9-2-3-9/h4-5,9,12H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 224.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66384880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).