N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide

C13H23N3OS — CID 66386316

IUPACN-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(C)(C)N(C)C
InChIInChI=1S/C13H23N3OS/c1-10(17)15-11-6-7-18-12(11)8-14-9-13(2,3)16(4)5/h6-7,14H,8-9H2,1-5H3,(H,15,17)
InChIKeyDUMFKLMDCNICHS-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.14
Rot. Bonds6

About N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide

N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide (PubChem CID 66386316) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
PubChem CID66386316
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(C)(C)N(C)C
InChIInChI=1S/C13H23N3OS/c1-10(17)15-11-6-7-18-12(11)8-14-9-13(2,3)16(4)5/h6-7,14H,8-9H2,1-5H3,(H,15,17)
InChIKeyDUMFKLMDCNICHS-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
CID 107755506
N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106186084
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66387949
methyl 2-[(3-acetamidothiophen-2-yl)methylamino]-2-methylpropanoate
CID 66387556
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide (CID 66386316) is N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCC(C)(C)N(C)C.
What is the InChIKey of N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is DUMFKLMDCNICHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(17)15-11-6-7-18-12(11)8-14-9-13(2,3)16(4)5/h6-7,14H,8-9H2,1-5H3,(H,15,17).
What are the key properties of N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 269.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).