1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one

C14H20ClNOS — CID 54999654

IUPAC1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CC1CC1)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H20ClNOS/c1-9(2)16(8-11-4-5-11)10(3)14(17)12-6-7-13(15)18-12/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyQFIPGVLDHXWOBG-UHFFFAOYSA-N
MW285.84 g/mol
LogP4.09
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one (PubChem CID 54999654) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one
PubChem CID54999654
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CC1CC1)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H20ClNOS/c1-9(2)16(8-11-4-5-11)10(3)14(17)12-6-7-13(15)18-12/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyQFIPGVLDHXWOBG-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one (CID 54999654) is 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one is CC(C)N(CC1CC1)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one?
The InChIKey is QFIPGVLDHXWOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-9(2)16(8-11-4-5-11)10(3)14(17)12-6-7-13(15)18-12/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one has a molecular weight of 285.84 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 54999654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).