3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide

C8H11ClN2OS — CID 130948894

IUPAC3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccsc1Cl
InChIInChI=1S/C8H11ClN2OS/c1-5(4-10)8(12)11-6-2-3-13-7(6)9/h2-3,5H,4,10H2,1H3,(H,11,12)
InChIKeyQBOZWZJMQCJJBL-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide

3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide (PubChem CID 130948894) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide
PubChem CID130948894
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccsc1Cl
InChIInChI=1S/C8H11ClN2OS/c1-5(4-10)8(12)11-6-2-3-13-7(6)9/h2-3,5H,4,10H2,1H3,(H,11,12)
InChIKeyQBOZWZJMQCJJBL-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
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3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
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3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide (CID 130948894) is 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide is CC(CN)C(=O)Nc1ccsc1Cl.
What is the InChIKey of 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide?
The InChIKey is QBOZWZJMQCJJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-5(4-10)8(12)11-6-2-3-13-7(6)9/h2-3,5H,4,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide?
3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide has a molecular weight of 218.71 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide is sourced from PubChem (CID 130948894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).