1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one

C11H15NOS — CID 62029716

IUPAC1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
SMILESCC(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C11H15NOS/c1-9(13)7-12(10-4-5-10)8-11-3-2-6-14-11/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyBTHJVUKJFZWDGC-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.30
Rot. Bonds5

About 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one

1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one (PubChem CID 62029716) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
PubChem CID62029716
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
SMILESCC(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C11H15NOS/c1-9(13)7-12(10-4-5-10)8-11-3-2-6-14-11/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyBTHJVUKJFZWDGC-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 134001328
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 62271809
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62030677
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one?
The IUPAC name of 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one (CID 62029716) is 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one.
What is the SMILES notation for 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one?
The canonical SMILES for 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one is CC(=O)CN(Cc1cccs1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one?
The InChIKey is BTHJVUKJFZWDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9(13)7-12(10-4-5-10)8-11-3-2-6-14-11/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one?
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one has a molecular weight of 209.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one is sourced from PubChem (CID 62029716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).