4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one

C15H23NOS — CID 54999752

IUPAC4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCC(C)N(CCCC(=O)c1cccs1)CC1CC1
InChIInChI=1S/C15H23NOS/c1-12(2)16(11-13-7-8-13)9-3-5-14(17)15-6-4-10-18-15/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3
InChIKeyYOVFOFNRVLUVRO-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.83
Rot. Bonds8

About 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one

4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one (PubChem CID 54999752) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
PubChem CID54999752
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCC(C)N(CCCC(=O)c1cccs1)CC1CC1
InChIInChI=1S/C15H23NOS/c1-12(2)16(11-13-7-8-13)9-3-5-14(17)15-6-4-10-18-15/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3
InChIKeyYOVFOFNRVLUVRO-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62030910
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
N-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 79713906
4-(2-methylbutylsulfonyl)-1-thiophen-2-ylbutan-1-one
CID 107767773
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
2-[(4-oxo-4-thiophen-2-ylbutanoyl)-propan-2-ylamino]acetic acid
CID 120580833
4-butan-2-ylsulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643546
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one (CID 54999752) is 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one is CC(C)N(CCCC(=O)c1cccs1)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one?
The InChIKey is YOVFOFNRVLUVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(2)16(11-13-7-8-13)9-3-5-14(17)15-6-4-10-18-15/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3.
What are the key properties of 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one?
4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one has a molecular weight of 265.42 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 54999752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).