2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone

C14H21NOS — CID 60679615

IUPAC2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCCCN(CC(=O)c1ccc(C)s1)CC1CC1
InChIInChI=1S/C14H21NOS/c1-3-8-15(9-12-5-6-12)10-13(16)14-7-4-11(2)17-14/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeyAGDPSEJFQALTTH-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.36
Rot. Bonds7

About 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone

2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 60679615) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID60679615
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCCCN(CC(=O)c1ccc(C)s1)CC1CC1
InChIInChI=1S/C14H21NOS/c1-3-8-15(9-12-5-6-12)10-13(16)14-7-4-11(2)17-14/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeyAGDPSEJFQALTTH-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone (CID 60679615) is 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone is CCCN(CC(=O)c1ccc(C)s1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is AGDPSEJFQALTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-8-15(9-12-5-6-12)10-13(16)14-7-4-11(2)17-14/h4,7,12H,3,5-6,8-10H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 251.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 60679615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).