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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Related Compounds

N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide
CID 120905800
1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol
CID 24714891
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62923287
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 165496181
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558

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).