2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone

C14H15NO2S — CID 62029916

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
SMILESO=C(CN(Cc1ccco1)C1CC1)c1cccs1
InChIInChI=1S/C14H15NO2S/c16-13(14-4-2-8-18-14)10-15(11-5-6-11)9-12-3-1-7-17-12/h1-4,7-8,11H,5-6,9-10H2
InChIKeySEYHRXLVKUBNPK-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.19
Rot. Bonds6

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone (PubChem CID 62029916) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
PubChem CID62029916
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
SMILESO=C(CN(Cc1ccco1)C1CC1)c1cccs1
InChIInChI=1S/C14H15NO2S/c16-13(14-4-2-8-18-14)10-15(11-5-6-11)9-12-3-1-7-17-12/h1-4,7-8,11H,5-6,9-10H2
InChIKeySEYHRXLVKUBNPK-UHFFFAOYSA-N
XLogP3.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62030109
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62030108
2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 62031099
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
CID 61445444
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 102864515
4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60694532
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone (CID 62029916) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone is O=C(CN(Cc1ccco1)C1CC1)c1cccs1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone?
The InChIKey is SEYHRXLVKUBNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-13(14-4-2-8-18-14)10-15(11-5-6-11)9-12-3-1-7-17-12/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone?
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone has a molecular weight of 261.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 62029916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).