N-(3-amino-2-thiophen-2-ylpropyl)acetamide

C9H14N2OS — CID 46186346

IUPACN-(3-amino-2-thiophen-2-ylpropyl)acetamide
SMILESCC(=O)NCC(CN)c1cccs1
InChIInChI=1S/C9H14N2OS/c1-7(12)11-6-8(5-10)9-3-2-4-13-9/h2-4,8H,5-6,10H2,1H3,(H,11,12)
InChIKeyDLDVPTBGBBASKF-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.93
Rot. Bonds4

About N-(3-amino-2-thiophen-2-ylpropyl)acetamide

N-(3-amino-2-thiophen-2-ylpropyl)acetamide (PubChem CID 46186346) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(3-amino-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-thiophen-2-ylpropyl)acetamide
PubChem CID46186346
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(3-amino-2-thiophen-2-ylpropyl)acetamide
SMILESCC(=O)NCC(CN)c1cccs1
InChIInChI=1S/C9H14N2OS/c1-7(12)11-6-8(5-10)9-3-2-4-13-9/h2-4,8H,5-6,10H2,1H3,(H,11,12)
InChIKeyDLDVPTBGBBASKF-UHFFFAOYSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
CID 170829439
4-thiophen-2-ylheptane-2,6-dione
CID 135077736
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
(3S)-4-amino-3-thiophen-2-ylbutanal
CID 143655944
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 9167306
3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298
3-nitro-2-thiophen-2-ylpropan-1-amine
CID 10726209
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of N-(3-amino-2-thiophen-2-ylpropyl)acetamide (CID 46186346) is N-(3-amino-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for N-(3-amino-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for N-(3-amino-2-thiophen-2-ylpropyl)acetamide is CC(=O)NCC(CN)c1cccs1.
What is the InChIKey of N-(3-amino-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is DLDVPTBGBBASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(12)11-6-8(5-10)9-3-2-4-13-9/h2-4,8H,5-6,10H2,1H3,(H,11,12).
What are the key properties of N-(3-amino-2-thiophen-2-ylpropyl)acetamide?
N-(3-amino-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 198.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 46186346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).