N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide

C16H24N2O2S — CID 81334230

IUPACN-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide
SMILESNCc1ccccc1NC(=O)CCS(=O)CC1CCCC1
InChIInChI=1S/C16H24N2O2S/c17-11-14-7-3-4-8-15(14)18-16(19)9-10-21(20)12-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12,17H2,(H,18,19)
InChIKeyDOYGCQPOMFTEED-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide

N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide (PubChem CID 81334230) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide
PubChem CID81334230
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide
SMILESNCc1ccccc1NC(=O)CCS(=O)CC1CCCC1
InChIInChI=1S/C16H24N2O2S/c17-11-14-7-3-4-8-15(14)18-16(19)9-10-21(20)12-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12,17H2,(H,18,19)
InChIKeyDOYGCQPOMFTEED-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
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N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
CID 64696815
N-[2-(aminomethyl)phenyl]-2-cyclopentyloxyacetamide
CID 16795947
3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
CID 60653813
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
CID 107272399
N-(3-amino-4-fluorophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
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N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide (CID 81334230) is N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide is NCc1ccccc1NC(=O)CCS(=O)CC1CCCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide?
The InChIKey is DOYGCQPOMFTEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c17-11-14-7-3-4-8-15(14)18-16(19)9-10-21(20)12-13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide?
N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide has a molecular weight of 308.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide is sourced from PubChem (CID 81334230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).