2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one

C11H15NOS — CID 116558651

IUPAC2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)(N)C2CC2)cs1
InChIInChI=1S/C11H15NOS/c1-7-5-8(6-14-7)10(13)11(2,12)9-3-4-9/h5-6,9H,3-4,12H2,1-2H3
InChIKeyNDLCSJOGULZBGD-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one

2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one (PubChem CID 116558651) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one
PubChem CID116558651
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)(N)C2CC2)cs1
InChIInChI=1S/C11H15NOS/c1-7-5-8(6-14-7)10(13)11(2,12)9-3-4-9/h5-6,9H,3-4,12H2,1-2H3
InChIKeyNDLCSJOGULZBGD-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-one
CID 79050745
2-amino-2-cyclopropyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 130757840
2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116558385
3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975969
2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 116558577
6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone
CID 114976121
tert-butyl 5-methylthiophene-3-carboxylate
CID 101043264
(3-amino-2-bicyclo[2.2.1]heptanyl)-(5-methylthiophen-3-yl)methanone
CID 116580928
2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 103451508
2-ethyl-2-methoxy-1-(5-methylthiophen-3-yl)butan-1-one
CID 116747651
(1-aminocyclopentyl)-(5-methylthiophen-3-yl)methanone
CID 116558927
2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
CID 79065462

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one (CID 116558651) is 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one is Cc1cc(C(=O)C(C)(N)C2CC2)cs1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one?
The InChIKey is NDLCSJOGULZBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-5-8(6-14-7)10(13)11(2,12)9-3-4-9/h5-6,9H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one?
2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one has a molecular weight of 209.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 116558651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).