2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone

C13H19NOS — CID 61445444

IUPAC2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
SMILESCCCCN(CC(=O)c1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c1-2-3-8-14(11-6-7-11)10-12(15)13-5-4-9-16-13/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyNWSIQIQIXBEHJC-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.20
Rot. Bonds7

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

2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone (PubChem CID 61445444) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
PubChem CID61445444
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
SMILESCCCCN(CC(=O)c1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c1-2-3-8-14(11-6-7-11)10-12(15)13-5-4-9-16-13/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyNWSIQIQIXBEHJC-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone (CID 61445444) is 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone is CCCCN(CC(=O)c1cccs1)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone?
The InChIKey is NWSIQIQIXBEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-3-8-14(11-6-7-11)10-12(15)13-5-4-9-16-13/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone?
2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone has a molecular weight of 237.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 61445444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).