[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone

C14H19NOS — CID 116921275

IUPAC[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccc(C(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H19NOS/c1-10(2)17-12-5-3-11(4-6-12)13(16)14(9-15)7-8-14/h3-6,10H,7-9,15H2,1-2H3
InChIKeyAZEUGERDTMGMKY-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.11
Rot. Bonds5

About [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone

[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone (PubChem CID 116921275) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone
PubChem CID116921275
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccc(C(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H19NOS/c1-10(2)17-12-5-3-11(4-6-12)13(16)14(9-15)7-8-14/h3-6,10H,7-9,15H2,1-2H3
InChIKeyAZEUGERDTMGMKY-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
CID 116601363
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 63820186
1-[amino-(4-propan-2-ylsulfanylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943125
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone (CID 116921275) is [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone is CC(C)Sc1ccc(C(=O)C2(CN)CC2)cc1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone?
The InChIKey is AZEUGERDTMGMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10(2)17-12-5-3-11(4-6-12)13(16)14(9-15)7-8-14/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone?
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone has a molecular weight of 249.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone is sourced from PubChem (CID 116921275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).