(1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone

C11H13NOS — CID 116924331

IUPAC(1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)C2(N)CC2)cc1
InChIInChI=1S/C11H13NOS/c1-14-9-4-2-8(3-5-9)10(13)11(12)6-7-11/h2-5H,6-7,12H2,1H3
InChIKeyKIHZVMDZFRSKCB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.08
Rot. Bonds3

About (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone

(1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 116924331) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone
PubChem CID116924331
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)C2(N)CC2)cc1
InChIInChI=1S/C11H13NOS/c1-14-9-4-2-8(3-5-9)10(13)11(12)6-7-11/h2-5H,6-7,12H2,1H3
InChIKeyKIHZVMDZFRSKCB-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(4-sulfanylphenyl)methanone
CID 170744345
methyl 1-(4-methylsulfanylbenzoyl)cyclopropane-1-carboxylate
CID 116922165
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 81171712
1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 119320851
3-amino-3-methyl-1-(4-methylsulfanylphenyl)butan-1-one
CID 116915756
[4-(4-methylsulfanylbenzoyl)oxyphenyl] 4-methylsulfanylbenzoate
CID 132510900
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071
4-methylsulfanylphenol;propan-2-one
CID 158861841
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
2,2-dimethyl-1-(4-methylsulfanylphenyl)propan-1-one;1-(4-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 159934991

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone (CID 116924331) is (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)C2(N)CC2)cc1.
What is the InChIKey of (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is KIHZVMDZFRSKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-14-9-4-2-8(3-5-9)10(13)11(12)6-7-11/h2-5H,6-7,12H2,1H3.
What are the key properties of (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone?
(1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 207.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 116924331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).