N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide

C13H23N3OS — CID 120858456

IUPACN-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(Cc1ccsc1)CC(C)(C)N
InChIInChI=1S/C13H23N3OS/c1-11(17)15-5-6-16(10-13(2,3)14)8-12-4-7-18-9-12/h4,7,9H,5-6,8,10,14H2,1-3H3,(H,15,17)
InChIKeyCPIDEJRTXYQTRX-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.42
Rot. Bonds7

About N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide

N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide (PubChem CID 120858456) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide
PubChem CID120858456
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(Cc1ccsc1)CC(C)(C)N
InChIInChI=1S/C13H23N3OS/c1-11(17)15-5-6-16(10-13(2,3)14)8-12-4-7-18-9-12/h4,7,9H,5-6,8,10,14H2,1-3H3,(H,15,17)
InChIKeyCPIDEJRTXYQTRX-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide (CID 120858456) is N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide is CC(=O)NCCN(Cc1ccsc1)CC(C)(C)N.
What is the InChIKey of N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide?
The InChIKey is CPIDEJRTXYQTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11(17)15-5-6-16(10-13(2,3)14)8-12-4-7-18-9-12/h4,7,9H,5-6,8,10,14H2,1-3H3,(H,15,17).
What are the key properties of N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide?
N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide has a molecular weight of 269.41 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide is sourced from PubChem (CID 120858456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).