2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide

C16H24N2O2S — CID 120989523

IUPAC2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide
SMILESCOCC(N)C(=O)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C16H24N2O2S/c1-20-11-14(17)15(19)18-12-16(9-5-6-10-16)21-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,17H2,1H3,(H,18,19)
InChIKeyUOEIDWGGUCNAHI-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.18
Rot. Bonds7

About 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide

2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide (PubChem CID 120989523) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide
PubChem CID120989523
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide
SMILESCOCC(N)C(=O)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C16H24N2O2S/c1-20-11-14(17)15(19)18-12-16(9-5-6-10-16)21-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,17H2,1H3,(H,18,19)
InChIKeyUOEIDWGGUCNAHI-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
2-amino-N-[(1-ethylcyclopentyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992658
3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
CID 120502289
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029
2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120993759
1,2-dimethyl-3-[(1-phenylsulfanylcyclopentyl)methyl]guanidine
CID 111112058
4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643
1-(4-hydroxy-2-methylbutyl)-3-[(1-phenylsulfanylcyclopentyl)methyl]urea
CID 111506198
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide (CID 120989523) is 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide is COCC(N)C(=O)NCC1(Sc2ccccc2)CCCC1.
What is the InChIKey of 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide?
The InChIKey is UOEIDWGGUCNAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-20-11-14(17)15(19)18-12-16(9-5-6-10-16)21-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide?
2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide has a molecular weight of 308.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 120989523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).